Descriptor List¶
preset descriptors
calc = Calculator(descriptors)
# 
module 
name 
constructor 
dim 
description 

1 
ABC 

2D 
atombond connectivity index 

2 
ABCGG 

2D 
GraovacGhorbani atombond connectivity index 

3 
nAcid 
2D 
acidic group count 

4 
nBase 
2D 
basic group count 

5 
SpAbs_A 

2D 
SpAbs of adjacency matrix 

6 
SpMax_A 

2D 
SpMax of adjacency matrix 

7 
SpDiam_A 

2D 
SpDiam of adjacency matrix 

8 
SpAD_A 

2D 
SpAD of adjacency matrix 

9 
SpMAD_A 

2D 
SpMAD of adjacency matrix 

10 
LogEE_A 

2D 
LogEE of adjacency matrix 

11 
VE1_A 

2D 
VE1 of adjacency matrix 

12 
VE2_A 

2D 
VE2 of adjacency matrix 

13 
VE3_A 

2D 
VE3 of adjacency matrix 

14 
VR1_A 

2D 
VR1 of adjacency matrix 

15 
VR2_A 

2D 
VR2 of adjacency matrix 

16 
VR3_A 

2D 
VR3 of adjacency matrix 

17 
nAromAtom 
2D 
aromatic atoms count 

18 
nAromBond 
2D 
aromatic bonds count 

19 
nAtom 

2D 
number of all atoms 

20 
nHeavyAtom 

2D 
number of heavy atoms 

21 
nSpiro 

2D 
number of spiro atoms 

22 
nBridgehead 

2D 
number of bridgehead atoms 

23 
nHetero 

2D 
number of hetero atoms 

24 
nH 

2D 
number of H atoms 

25 
nB 

2D 
number of B atoms 

26 
nC 

2D 
number of C atoms 

27 
nN 

2D 
number of N atoms 

28 
nO 

2D 
number of O atoms 

29 
nS 

2D 
number of S atoms 

30 
nP 

2D 
number of P atoms 

31 
nF 

2D 
number of F atoms 

32 
nCl 

2D 
number of Cl atoms 

33 
nBr 

2D 
number of Br atoms 

34 
nI 

2D 
number of I atoms 

35 
nX 

2D 
number of halogen atoms 

36 
ATS0dv 

2D 
moreaubroto autocorrelation of lag 0 weighted by valence electrons 

37 
ATS1dv 

2D 
moreaubroto autocorrelation of lag 1 weighted by valence electrons 

38 
ATS2dv 

2D 
moreaubroto autocorrelation of lag 2 weighted by valence electrons 

39 
ATS3dv 

2D 
moreaubroto autocorrelation of lag 3 weighted by valence electrons 

40 
ATS4dv 

2D 
moreaubroto autocorrelation of lag 4 weighted by valence electrons 

41 
ATS5dv 

2D 
moreaubroto autocorrelation of lag 5 weighted by valence electrons 

42 
ATS6dv 

2D 
moreaubroto autocorrelation of lag 6 weighted by valence electrons 

43 
ATS7dv 

2D 
moreaubroto autocorrelation of lag 7 weighted by valence electrons 

44 
ATS8dv 

2D 
moreaubroto autocorrelation of lag 8 weighted by valence electrons 

45 
ATS0d 

2D 
moreaubroto autocorrelation of lag 0 weighted by sigma electrons 

46 
ATS1d 

2D 
moreaubroto autocorrelation of lag 1 weighted by sigma electrons 

47 
ATS2d 

2D 
moreaubroto autocorrelation of lag 2 weighted by sigma electrons 

48 
ATS3d 

2D 
moreaubroto autocorrelation of lag 3 weighted by sigma electrons 

49 
ATS4d 

2D 
moreaubroto autocorrelation of lag 4 weighted by sigma electrons 

50 
ATS5d 

2D 
moreaubroto autocorrelation of lag 5 weighted by sigma electrons 

51 
ATS6d 

2D 
moreaubroto autocorrelation of lag 6 weighted by sigma electrons 

52 
ATS7d 

2D 
moreaubroto autocorrelation of lag 7 weighted by sigma electrons 

53 
ATS8d 

2D 
moreaubroto autocorrelation of lag 8 weighted by sigma electrons 

54 
ATS0s 

2D 
moreaubroto autocorrelation of lag 0 weighted by intrinsic state 

55 
ATS1s 

2D 
moreaubroto autocorrelation of lag 1 weighted by intrinsic state 

56 
ATS2s 

2D 
moreaubroto autocorrelation of lag 2 weighted by intrinsic state 

57 
ATS3s 

2D 
moreaubroto autocorrelation of lag 3 weighted by intrinsic state 

58 
ATS4s 

2D 
moreaubroto autocorrelation of lag 4 weighted by intrinsic state 

59 
ATS5s 

2D 
moreaubroto autocorrelation of lag 5 weighted by intrinsic state 

60 
ATS6s 

2D 
moreaubroto autocorrelation of lag 6 weighted by intrinsic state 

61 
ATS7s 

2D 
moreaubroto autocorrelation of lag 7 weighted by intrinsic state 

62 
ATS8s 

2D 
moreaubroto autocorrelation of lag 8 weighted by intrinsic state 

63 
ATS0Z 

2D 
moreaubroto autocorrelation of lag 0 weighted by atomic number 

64 
ATS1Z 

2D 
moreaubroto autocorrelation of lag 1 weighted by atomic number 

65 
ATS2Z 

2D 
moreaubroto autocorrelation of lag 2 weighted by atomic number 

66 
ATS3Z 

2D 
moreaubroto autocorrelation of lag 3 weighted by atomic number 

67 
ATS4Z 

2D 
moreaubroto autocorrelation of lag 4 weighted by atomic number 

68 
ATS5Z 

2D 
moreaubroto autocorrelation of lag 5 weighted by atomic number 

69 
ATS6Z 

2D 
moreaubroto autocorrelation of lag 6 weighted by atomic number 

70 
ATS7Z 

2D 
moreaubroto autocorrelation of lag 7 weighted by atomic number 

71 
ATS8Z 

2D 
moreaubroto autocorrelation of lag 8 weighted by atomic number 

72 
ATS0m 

2D 
moreaubroto autocorrelation of lag 0 weighted by mass 

73 
ATS1m 

2D 
moreaubroto autocorrelation of lag 1 weighted by mass 

74 
ATS2m 

2D 
moreaubroto autocorrelation of lag 2 weighted by mass 

75 
ATS3m 

2D 
moreaubroto autocorrelation of lag 3 weighted by mass 

76 
ATS4m 

2D 
moreaubroto autocorrelation of lag 4 weighted by mass 

77 
ATS5m 

2D 
moreaubroto autocorrelation of lag 5 weighted by mass 

78 
ATS6m 

2D 
moreaubroto autocorrelation of lag 6 weighted by mass 

79 
ATS7m 

2D 
moreaubroto autocorrelation of lag 7 weighted by mass 

80 
ATS8m 

2D 
moreaubroto autocorrelation of lag 8 weighted by mass 

81 
ATS0v 

2D 
moreaubroto autocorrelation of lag 0 weighted by vdw volume 

82 
ATS1v 

2D 
moreaubroto autocorrelation of lag 1 weighted by vdw volume 

83 
ATS2v 

2D 
moreaubroto autocorrelation of lag 2 weighted by vdw volume 

84 
ATS3v 

2D 
moreaubroto autocorrelation of lag 3 weighted by vdw volume 

85 
ATS4v 

2D 
moreaubroto autocorrelation of lag 4 weighted by vdw volume 

86 
ATS5v 

2D 
moreaubroto autocorrelation of lag 5 weighted by vdw volume 

87 
ATS6v 

2D 
moreaubroto autocorrelation of lag 6 weighted by vdw volume 

88 
ATS7v 

2D 
moreaubroto autocorrelation of lag 7 weighted by vdw volume 

89 
ATS8v 

2D 
moreaubroto autocorrelation of lag 8 weighted by vdw volume 

90 
ATS0se 

2D 
moreaubroto autocorrelation of lag 0 weighted by sanderson EN 

91 
ATS1se 

2D 
moreaubroto autocorrelation of lag 1 weighted by sanderson EN 

92 
ATS2se 

2D 
moreaubroto autocorrelation of lag 2 weighted by sanderson EN 

93 
ATS3se 

2D 
moreaubroto autocorrelation of lag 3 weighted by sanderson EN 

94 
ATS4se 

2D 
moreaubroto autocorrelation of lag 4 weighted by sanderson EN 

95 
ATS5se 

2D 
moreaubroto autocorrelation of lag 5 weighted by sanderson EN 

96 
ATS6se 

2D 
moreaubroto autocorrelation of lag 6 weighted by sanderson EN 

97 
ATS7se 

2D 
moreaubroto autocorrelation of lag 7 weighted by sanderson EN 

98 
ATS8se 

2D 
moreaubroto autocorrelation of lag 8 weighted by sanderson EN 

99 
ATS0pe 

2D 
moreaubroto autocorrelation of lag 0 weighted by pauling EN 

100 
ATS1pe 

2D 
moreaubroto autocorrelation of lag 1 weighted by pauling EN 

101 
ATS2pe 

2D 
moreaubroto autocorrelation of lag 2 weighted by pauling EN 

102 
ATS3pe 

2D 
moreaubroto autocorrelation of lag 3 weighted by pauling EN 

103 
ATS4pe 

2D 
moreaubroto autocorrelation of lag 4 weighted by pauling EN 

104 
ATS5pe 

2D 
moreaubroto autocorrelation of lag 5 weighted by pauling EN 

105 
ATS6pe 

2D 
moreaubroto autocorrelation of lag 6 weighted by pauling EN 

106 
ATS7pe 

2D 
moreaubroto autocorrelation of lag 7 weighted by pauling EN 

107 
ATS8pe 

2D 
moreaubroto autocorrelation of lag 8 weighted by pauling EN 

108 
ATS0are 

2D 
moreaubroto autocorrelation of lag 0 weighted by allredrocow EN 

109 
ATS1are 

2D 
moreaubroto autocorrelation of lag 1 weighted by allredrocow EN 

110 
ATS2are 

2D 
moreaubroto autocorrelation of lag 2 weighted by allredrocow EN 

111 
ATS3are 

2D 
moreaubroto autocorrelation of lag 3 weighted by allredrocow EN 

112 
ATS4are 

2D 
moreaubroto autocorrelation of lag 4 weighted by allredrocow EN 

113 
ATS5are 

2D 
moreaubroto autocorrelation of lag 5 weighted by allredrocow EN 

114 
ATS6are 

2D 
moreaubroto autocorrelation of lag 6 weighted by allredrocow EN 

115 
ATS7are 

2D 
moreaubroto autocorrelation of lag 7 weighted by allredrocow EN 

116 
ATS8are 

2D 
moreaubroto autocorrelation of lag 8 weighted by allredrocow EN 

117 
ATS0p 

2D 
moreaubroto autocorrelation of lag 0 weighted by polarizability 

118 
ATS1p 

2D 
moreaubroto autocorrelation of lag 1 weighted by polarizability 

119 
ATS2p 

2D 
moreaubroto autocorrelation of lag 2 weighted by polarizability 

120 
ATS3p 

2D 
moreaubroto autocorrelation of lag 3 weighted by polarizability 

121 
ATS4p 

2D 
moreaubroto autocorrelation of lag 4 weighted by polarizability 

122 
ATS5p 

2D 
moreaubroto autocorrelation of lag 5 weighted by polarizability 

123 
ATS6p 

2D 
moreaubroto autocorrelation of lag 6 weighted by polarizability 

124 
ATS7p 

2D 
moreaubroto autocorrelation of lag 7 weighted by polarizability 

125 
ATS8p 

2D 
moreaubroto autocorrelation of lag 8 weighted by polarizability 

126 
ATS0i 

2D 
moreaubroto autocorrelation of lag 0 weighted by ionization potential 

127 
ATS1i 

2D 
moreaubroto autocorrelation of lag 1 weighted by ionization potential 

128 
ATS2i 

2D 
moreaubroto autocorrelation of lag 2 weighted by ionization potential 

129 
ATS3i 

2D 
moreaubroto autocorrelation of lag 3 weighted by ionization potential 

130 
ATS4i 

2D 
moreaubroto autocorrelation of lag 4 weighted by ionization potential 

131 
ATS5i 

2D 
moreaubroto autocorrelation of lag 5 weighted by ionization potential 

132 
ATS6i 

2D 
moreaubroto autocorrelation of lag 6 weighted by ionization potential 

133 
ATS7i 

2D 
moreaubroto autocorrelation of lag 7 weighted by ionization potential 

134 
ATS8i 

2D 
moreaubroto autocorrelation of lag 8 weighted by ionization potential 

135 
AATS0dv 

2D 
averaged moreaubroto autocorrelation of lag 0 weighted by valence electrons 

136 
AATS1dv 

2D 
averaged moreaubroto autocorrelation of lag 1 weighted by valence electrons 

137 
AATS2dv 

2D 
averaged moreaubroto autocorrelation of lag 2 weighted by valence electrons 

138 
AATS3dv 

2D 
averaged moreaubroto autocorrelation of lag 3 weighted by valence electrons 

139 
AATS4dv 

2D 
averaged moreaubroto autocorrelation of lag 4 weighted by valence electrons 

140 
AATS5dv 

2D 
averaged moreaubroto autocorrelation of lag 5 weighted by valence electrons 

141 
AATS6dv 

2D 
averaged moreaubroto autocorrelation of lag 6 weighted by valence electrons 

142 
AATS7dv 

2D 
averaged moreaubroto autocorrelation of lag 7 weighted by valence electrons 

143 
AATS8dv 

2D 
averaged moreaubroto autocorrelation of lag 8 weighted by valence electrons 

144 
AATS0d 

2D 
averaged moreaubroto autocorrelation of lag 0 weighted by sigma electrons 

145 
AATS1d 

2D 
averaged moreaubroto autocorrelation of lag 1 weighted by sigma electrons 

146 
AATS2d 

2D 
averaged moreaubroto autocorrelation of lag 2 weighted by sigma electrons 

147 
AATS3d 

2D 
averaged moreaubroto autocorrelation of lag 3 weighted by sigma electrons 

148 
AATS4d 

2D 
averaged moreaubroto autocorrelation of lag 4 weighted by sigma electrons 

149 
AATS5d 

2D 
averaged moreaubroto autocorrelation of lag 5 weighted by sigma electrons 

150 
AATS6d 

2D 
averaged moreaubroto autocorrelation of lag 6 weighted by sigma electrons 

151 
AATS7d 

2D 
averaged moreaubroto autocorrelation of lag 7 weighted by sigma electrons 

152 
AATS8d 

2D 
averaged moreaubroto autocorrelation of lag 8 weighted by sigma electrons 

153 
AATS0s 

2D 
averaged moreaubroto autocorrelation of lag 0 weighted by intrinsic state 

154 
AATS1s 

2D 
averaged moreaubroto autocorrelation of lag 1 weighted by intrinsic state 

155 
AATS2s 

2D 
averaged moreaubroto autocorrelation of lag 2 weighted by intrinsic state 

156 
AATS3s 

2D 
averaged moreaubroto autocorrelation of lag 3 weighted by intrinsic state 

157 
AATS4s 

2D 
averaged moreaubroto autocorrelation of lag 4 weighted by intrinsic state 

158 
AATS5s 

2D 
averaged moreaubroto autocorrelation of lag 5 weighted by intrinsic state 

159 
AATS6s 

2D 
averaged moreaubroto autocorrelation of lag 6 weighted by intrinsic state 

160 
AATS7s 

2D 
averaged moreaubroto autocorrelation of lag 7 weighted by intrinsic state 

161 
AATS8s 

2D 
averaged moreaubroto autocorrelation of lag 8 weighted by intrinsic state 

162 
AATS0Z 

2D 
averaged moreaubroto autocorrelation of lag 0 weighted by atomic number 

163 
AATS1Z 

2D 
averaged moreaubroto autocorrelation of lag 1 weighted by atomic number 

164 
AATS2Z 

2D 
averaged moreaubroto autocorrelation of lag 2 weighted by atomic number 

165 
AATS3Z 

2D 
averaged moreaubroto autocorrelation of lag 3 weighted by atomic number 

166 
AATS4Z 

2D 
averaged moreaubroto autocorrelation of lag 4 weighted by atomic number 

167 
AATS5Z 

2D 
averaged moreaubroto autocorrelation of lag 5 weighted by atomic number 

168 
AATS6Z 

2D 
averaged moreaubroto autocorrelation of lag 6 weighted by atomic number 

169 
AATS7Z 

2D 
averaged moreaubroto autocorrelation of lag 7 weighted by atomic number 

170 
AATS8Z 

2D 
averaged moreaubroto autocorrelation of lag 8 weighted by atomic number 

171 
AATS0m 

2D 
averaged moreaubroto autocorrelation of lag 0 weighted by mass 

172 
AATS1m 

2D 
averaged moreaubroto autocorrelation of lag 1 weighted by mass 

173 
AATS2m 

2D 
averaged moreaubroto autocorrelation of lag 2 weighted by mass 

174 
AATS3m 

2D 
averaged moreaubroto autocorrelation of lag 3 weighted by mass 

175 
AATS4m 

2D 
averaged moreaubroto autocorrelation of lag 4 weighted by mass 

176 
AATS5m 

2D 
averaged moreaubroto autocorrelation of lag 5 weighted by mass 

177 
AATS6m 

2D 
averaged moreaubroto autocorrelation of lag 6 weighted by mass 

178 
AATS7m 

2D 
averaged moreaubroto autocorrelation of lag 7 weighted by mass 

179 
AATS8m 

2D 
averaged moreaubroto autocorrelation of lag 8 weighted by mass 

180 
AATS0v 

2D 
averaged moreaubroto autocorrelation of lag 0 weighted by vdw volume 

181 
AATS1v 

2D 
averaged moreaubroto autocorrelation of lag 1 weighted by vdw volume 

182 
AATS2v 

2D 
averaged moreaubroto autocorrelation of lag 2 weighted by vdw volume 

183 
AATS3v 

2D 
averaged moreaubroto autocorrelation of lag 3 weighted by vdw volume 

184 
AATS4v 

2D 
averaged moreaubroto autocorrelation of lag 4 weighted by vdw volume 

185 
AATS5v 

2D 
averaged moreaubroto autocorrelation of lag 5 weighted by vdw volume 

186 
AATS6v 

2D 
averaged moreaubroto autocorrelation of lag 6 weighted by vdw volume 

187 
AATS7v 

2D 
averaged moreaubroto autocorrelation of lag 7 weighted by vdw volume 

188 
AATS8v 

2D 
averaged moreaubroto autocorrelation of lag 8 weighted by vdw volume 

189 
AATS0se 

2D 
averaged moreaubroto autocorrelation of lag 0 weighted by sanderson EN 

190 
AATS1se 

2D 
averaged moreaubroto autocorrelation of lag 1 weighted by sanderson EN 

191 
AATS2se 

2D 
averaged moreaubroto autocorrelation of lag 2 weighted by sanderson EN 

192 
AATS3se 

2D 
averaged moreaubroto autocorrelation of lag 3 weighted by sanderson EN 

193 
AATS4se 

2D 
averaged moreaubroto autocorrelation of lag 4 weighted by sanderson EN 

194 
AATS5se 

2D 
averaged moreaubroto autocorrelation of lag 5 weighted by sanderson EN 

195 
AATS6se 

2D 
averaged moreaubroto autocorrelation of lag 6 weighted by sanderson EN 

196 
AATS7se 

2D 
averaged moreaubroto autocorrelation of lag 7 weighted by sanderson EN 

197 
AATS8se 

2D 
averaged moreaubroto autocorrelation of lag 8 weighted by sanderson EN 

198 
AATS0pe 

2D 
averaged moreaubroto autocorrelation of lag 0 weighted by pauling EN 

199 
AATS1pe 

2D 
averaged moreaubroto autocorrelation of lag 1 weighted by pauling EN 

200 
AATS2pe 

2D 
averaged moreaubroto autocorrelation of lag 2 weighted by pauling EN 

201 
AATS3pe 

2D 
averaged moreaubroto autocorrelation of lag 3 weighted by pauling EN 

202 
AATS4pe 

2D 
averaged moreaubroto autocorrelation of lag 4 weighted by pauling EN 

203 
AATS5pe 

2D 
averaged moreaubroto autocorrelation of lag 5 weighted by pauling EN 

204 
AATS6pe 

2D 
averaged moreaubroto autocorrelation of lag 6 weighted by pauling EN 

205 
AATS7pe 

2D 
averaged moreaubroto autocorrelation of lag 7 weighted by pauling EN 

206 
AATS8pe 

2D 
averaged moreaubroto autocorrelation of lag 8 weighted by pauling EN 

207 
AATS0are 

2D 
averaged moreaubroto autocorrelation of lag 0 weighted by allredrocow EN 

208 
AATS1are 

2D 
averaged moreaubroto autocorrelation of lag 1 weighted by allredrocow EN 

209 
AATS2are 

2D 
averaged moreaubroto autocorrelation of lag 2 weighted by allredrocow EN 

210 
AATS3are 

2D 
averaged moreaubroto autocorrelation of lag 3 weighted by allredrocow EN 

211 
AATS4are 

2D 
averaged moreaubroto autocorrelation of lag 4 weighted by allredrocow EN 

212 
AATS5are 

2D 
averaged moreaubroto autocorrelation of lag 5 weighted by allredrocow EN 

213 
AATS6are 

2D 
averaged moreaubroto autocorrelation of lag 6 weighted by allredrocow EN 

214 
AATS7are 

2D 
averaged moreaubroto autocorrelation of lag 7 weighted by allredrocow EN 

215 
AATS8are 

2D 
averaged moreaubroto autocorrelation of lag 8 weighted by allredrocow EN 

216 
AATS0p 

2D 
averaged moreaubroto autocorrelation of lag 0 weighted by polarizability 

217 
AATS1p 

2D 
averaged moreaubroto autocorrelation of lag 1 weighted by polarizability 

218 
AATS2p 

2D 
averaged moreaubroto autocorrelation of lag 2 weighted by polarizability 

219 
AATS3p 

2D 
averaged moreaubroto autocorrelation of lag 3 weighted by polarizability 

220 
AATS4p 

2D 
averaged moreaubroto autocorrelation of lag 4 weighted by polarizability 

221 
AATS5p 

2D 
averaged moreaubroto autocorrelation of lag 5 weighted by polarizability 

222 
AATS6p 

2D 
averaged moreaubroto autocorrelation of lag 6 weighted by polarizability 

223 
AATS7p 

2D 
averaged moreaubroto autocorrelation of lag 7 weighted by polarizability 

224 
AATS8p 

2D 
averaged moreaubroto autocorrelation of lag 8 weighted by polarizability 

225 
AATS0i 

2D 
averaged moreaubroto autocorrelation of lag 0 weighted by ionization potential 

226 
AATS1i 

2D 
averaged moreaubroto autocorrelation of lag 1 weighted by ionization potential 

227 
AATS2i 

2D 
averaged moreaubroto autocorrelation of lag 2 weighted by ionization potential 

228 
AATS3i 

2D 
averaged moreaubroto autocorrelation of lag 3 weighted by ionization potential 

229 
AATS4i 

2D 
averaged moreaubroto autocorrelation of lag 4 weighted by ionization potential 

230 
AATS5i 

2D 
averaged moreaubroto autocorrelation of lag 5 weighted by ionization potential 

231 
AATS6i 

2D 
averaged moreaubroto autocorrelation of lag 6 weighted by ionization potential 

232 
AATS7i 

2D 
averaged moreaubroto autocorrelation of lag 7 weighted by ionization potential 

233 
AATS8i 

2D 
averaged moreaubroto autocorrelation of lag 8 weighted by ionization potential 

234 
ATSC0c 

2D 
centered moreaubroto autocorrelation of lag 0 weighted by gasteiger charge 

235 
ATSC1c 

2D 
centered moreaubroto autocorrelation of lag 1 weighted by gasteiger charge 

236 
ATSC2c 

2D 
centered moreaubroto autocorrelation of lag 2 weighted by gasteiger charge 

237 
ATSC3c 

2D 
centered moreaubroto autocorrelation of lag 3 weighted by gasteiger charge 

238 
ATSC4c 

2D 
centered moreaubroto autocorrelation of lag 4 weighted by gasteiger charge 

239 
ATSC5c 

2D 
centered moreaubroto autocorrelation of lag 5 weighted by gasteiger charge 

240 
ATSC6c 

2D 
centered moreaubroto autocorrelation of lag 6 weighted by gasteiger charge 

241 
ATSC7c 

2D 
centered moreaubroto autocorrelation of lag 7 weighted by gasteiger charge 

242 
ATSC8c 

2D 
centered moreaubroto autocorrelation of lag 8 weighted by gasteiger charge 

243 
ATSC0dv 

2D 
centered moreaubroto autocorrelation of lag 0 weighted by valence electrons 

244 
ATSC1dv 

2D 
centered moreaubroto autocorrelation of lag 1 weighted by valence electrons 

245 
ATSC2dv 

2D 
centered moreaubroto autocorrelation of lag 2 weighted by valence electrons 

246 
ATSC3dv 

2D 
centered moreaubroto autocorrelation of lag 3 weighted by valence electrons 

247 
ATSC4dv 

2D 
centered moreaubroto autocorrelation of lag 4 weighted by valence electrons 

248 
ATSC5dv 

2D 
centered moreaubroto autocorrelation of lag 5 weighted by valence electrons 

249 
ATSC6dv 

2D 
centered moreaubroto autocorrelation of lag 6 weighted by valence electrons 

250 
ATSC7dv 

2D 
centered moreaubroto autocorrelation of lag 7 weighted by valence electrons 

251 
ATSC8dv 

2D 
centered moreaubroto autocorrelation of lag 8 weighted by valence electrons 

252 
ATSC0d 

2D 
centered moreaubroto autocorrelation of lag 0 weighted by sigma electrons 

253 
ATSC1d 

2D 
centered moreaubroto autocorrelation of lag 1 weighted by sigma electrons 

254 
ATSC2d 

2D 
centered moreaubroto autocorrelation of lag 2 weighted by sigma electrons 

255 
ATSC3d 

2D 
centered moreaubroto autocorrelation of lag 3 weighted by sigma electrons 

256 
ATSC4d 

2D 
centered moreaubroto autocorrelation of lag 4 weighted by sigma electrons 

257 
ATSC5d 

2D 
centered moreaubroto autocorrelation of lag 5 weighted by sigma electrons 

258 
ATSC6d 

2D 
centered moreaubroto autocorrelation of lag 6 weighted by sigma electrons 

259 
ATSC7d 

2D 
centered moreaubroto autocorrelation of lag 7 weighted by sigma electrons 

260 
ATSC8d 

2D 
centered moreaubroto autocorrelation of lag 8 weighted by sigma electrons 

261 
ATSC0s 

2D 
centered moreaubroto autocorrelation of lag 0 weighted by intrinsic state 

262 
ATSC1s 

2D 
centered moreaubroto autocorrelation of lag 1 weighted by intrinsic state 

263 
ATSC2s 

2D 
centered moreaubroto autocorrelation of lag 2 weighted by intrinsic state 

264 
ATSC3s 

2D 
centered moreaubroto autocorrelation of lag 3 weighted by intrinsic state 

265 
ATSC4s 

2D 
centered moreaubroto autocorrelation of lag 4 weighted by intrinsic state 

266 
ATSC5s 

2D 
centered moreaubroto autocorrelation of lag 5 weighted by intrinsic state 

267 
ATSC6s 

2D 
centered moreaubroto autocorrelation of lag 6 weighted by intrinsic state 

268 
ATSC7s 

2D 
centered moreaubroto autocorrelation of lag 7 weighted by intrinsic state 

269 
ATSC8s 

2D 
centered moreaubroto autocorrelation of lag 8 weighted by intrinsic state 

270 
ATSC0Z 

2D 
centered moreaubroto autocorrelation of lag 0 weighted by atomic number 

271 
ATSC1Z 

2D 
centered moreaubroto autocorrelation of lag 1 weighted by atomic number 

272 
ATSC2Z 

2D 
centered moreaubroto autocorrelation of lag 2 weighted by atomic number 

273 
ATSC3Z 

2D 
centered moreaubroto autocorrelation of lag 3 weighted by atomic number 

274 
ATSC4Z 

2D 
centered moreaubroto autocorrelation of lag 4 weighted by atomic number 

275 
ATSC5Z 

2D 
centered moreaubroto autocorrelation of lag 5 weighted by atomic number 

276 
ATSC6Z 

2D 
centered moreaubroto autocorrelation of lag 6 weighted by atomic number 

277 
ATSC7Z 

2D 
centered moreaubroto autocorrelation of lag 7 weighted by atomic number 

278 
ATSC8Z 

2D 
centered moreaubroto autocorrelation of lag 8 weighted by atomic number 

279 
ATSC0m 

2D 
centered moreaubroto autocorrelation of lag 0 weighted by mass 

280 
ATSC1m 

2D 
centered moreaubroto autocorrelation of lag 1 weighted by mass 

281 
ATSC2m 

2D 
centered moreaubroto autocorrelation of lag 2 weighted by mass 

282 
ATSC3m 

2D 
centered moreaubroto autocorrelation of lag 3 weighted by mass 

283 
ATSC4m 

2D 
centered moreaubroto autocorrelation of lag 4 weighted by mass 

284 
ATSC5m 

2D 
centered moreaubroto autocorrelation of lag 5 weighted by mass 

285 
ATSC6m 

2D 
centered moreaubroto autocorrelation of lag 6 weighted by mass 

286 
ATSC7m 

2D 
centered moreaubroto autocorrelation of lag 7 weighted by mass 

287 
ATSC8m 

2D 
centered moreaubroto autocorrelation of lag 8 weighted by mass 

288 
ATSC0v 

2D 
centered moreaubroto autocorrelation of lag 0 weighted by vdw volume 

289 
ATSC1v 

2D 
centered moreaubroto autocorrelation of lag 1 weighted by vdw volume 

290 
ATSC2v 

2D 
centered moreaubroto autocorrelation of lag 2 weighted by vdw volume 

291 
ATSC3v 

2D 
centered moreaubroto autocorrelation of lag 3 weighted by vdw volume 

292 
ATSC4v 

2D 
centered moreaubroto autocorrelation of lag 4 weighted by vdw volume 

293 
ATSC5v 

2D 
centered moreaubroto autocorrelation of lag 5 weighted by vdw volume 

294 
ATSC6v 

2D 
centered moreaubroto autocorrelation of lag 6 weighted by vdw volume 

295 
ATSC7v 

2D 
centered moreaubroto autocorrelation of lag 7 weighted by vdw volume 

296 
ATSC8v 

2D 
centered moreaubroto autocorrelation of lag 8 weighted by vdw volume 

297 
ATSC0se 

2D 
centered moreaubroto autocorrelation of lag 0 weighted by sanderson EN 

298 
ATSC1se 

2D 
centered moreaubroto autocorrelation of lag 1 weighted by sanderson EN 

299 
ATSC2se 

2D 
centered moreaubroto autocorrelation of lag 2 weighted by sanderson EN 

300 
ATSC3se 

2D 
centered moreaubroto autocorrelation of lag 3 weighted by sanderson EN 

301 
ATSC4se 

2D 
centered moreaubroto autocorrelation of lag 4 weighted by sanderson EN 

302 
ATSC5se 

2D 
centered moreaubroto autocorrelation of lag 5 weighted by sanderson EN 

303 
ATSC6se 

2D 
centered moreaubroto autocorrelation of lag 6 weighted by sanderson EN 

304 
ATSC7se 

2D 
centered moreaubroto autocorrelation of lag 7 weighted by sanderson EN 

305 
ATSC8se 

2D 
centered moreaubroto autocorrelation of lag 8 weighted by sanderson EN 

306 
ATSC0pe 

2D 
centered moreaubroto autocorrelation of lag 0 weighted by pauling EN 

307 
ATSC1pe 

2D 
centered moreaubroto autocorrelation of lag 1 weighted by pauling EN 

308 
ATSC2pe 

2D 
centered moreaubroto autocorrelation of lag 2 weighted by pauling EN 

309 
ATSC3pe 

2D 
centered moreaubroto autocorrelation of lag 3 weighted by pauling EN 

310 
ATSC4pe 

2D 
centered moreaubroto autocorrelation of lag 4 weighted by pauling EN 

311 
ATSC5pe 

2D 
centered moreaubroto autocorrelation of lag 5 weighted by pauling EN 

312 
ATSC6pe 

2D 
centered moreaubroto autocorrelation of lag 6 weighted by pauling EN 

313 
ATSC7pe 

2D 
centered moreaubroto autocorrelation of lag 7 weighted by pauling EN 

314 
ATSC8pe 

2D 
centered moreaubroto autocorrelation of lag 8 weighted by pauling EN 

315 
ATSC0are 

2D 
centered moreaubroto autocorrelation of lag 0 weighted by allredrocow EN 

316 
ATSC1are 

2D 
centered moreaubroto autocorrelation of lag 1 weighted by allredrocow EN 

317 
ATSC2are 

2D 
centered moreaubroto autocorrelation of lag 2 weighted by allredrocow EN 

318 
ATSC3are 

2D 
centered moreaubroto autocorrelation of lag 3 weighted by allredrocow EN 

319 
ATSC4are 

2D 
centered moreaubroto autocorrelation of lag 4 weighted by allredrocow EN 

320 
ATSC5are 

2D 
centered moreaubroto autocorrelation of lag 5 weighted by allredrocow EN 

321 
ATSC6are 

2D 
centered moreaubroto autocorrelation of lag 6 weighted by allredrocow EN 

322 
ATSC7are 

2D 
centered moreaubroto autocorrelation of lag 7 weighted by allredrocow EN 

323 
ATSC8are 

2D 
centered moreaubroto autocorrelation of lag 8 weighted by allredrocow EN 

324 
ATSC0p 

2D 
centered moreaubroto autocorrelation of lag 0 weighted by polarizability 

325 
ATSC1p 

2D 
centered moreaubroto autocorrelation of lag 1 weighted by polarizability 

326 
ATSC2p 

2D 
centered moreaubroto autocorrelation of lag 2 weighted by polarizability 

327 
ATSC3p 

2D 
centered moreaubroto autocorrelation of lag 3 weighted by polarizability 

328 
ATSC4p 

2D 
centered moreaubroto autocorrelation of lag 4 weighted by polarizability 

329 
ATSC5p 

2D 
centered moreaubroto autocorrelation of lag 5 weighted by polarizability 

330 
ATSC6p 

2D 
centered moreaubroto autocorrelation of lag 6 weighted by polarizability 

331 
ATSC7p 

2D 
centered moreaubroto autocorrelation of lag 7 weighted by polarizability 

332 
ATSC8p 

2D 
centered moreaubroto autocorrelation of lag 8 weighted by polarizability 

333 
ATSC0i 

2D 
centered moreaubroto autocorrelation of lag 0 weighted by ionization potential 

334 
ATSC1i 

2D 
centered moreaubroto autocorrelation of lag 1 weighted by ionization potential 

335 
ATSC2i 

2D 
centered moreaubroto autocorrelation of lag 2 weighted by ionization potential 

336 
ATSC3i 

2D 
centered moreaubroto autocorrelation of lag 3 weighted by ionization potential 

337 
ATSC4i 

2D 
centered moreaubroto autocorrelation of lag 4 weighted by ionization potential 

338 
ATSC5i 

2D 
centered moreaubroto autocorrelation of lag 5 weighted by ionization potential 

339 
ATSC6i 

2D 
centered moreaubroto autocorrelation of lag 6 weighted by ionization potential 

340 
ATSC7i 

2D 
centered moreaubroto autocorrelation of lag 7 weighted by ionization potential 

341 
ATSC8i 

2D 
centered moreaubroto autocorrelation of lag 8 weighted by ionization potential 

342 
AATSC0c 

2D 
averaged and centered moreaubroto autocorrelation of lag 0 weighted by gasteiger charge 

343 
AATSC1c 

2D 
averaged and centered moreaubroto autocorrelation of lag 1 weighted by gasteiger charge 

344 
AATSC2c 

2D 
averaged and centered moreaubroto autocorrelation of lag 2 weighted by gasteiger charge 

345 
AATSC3c 

2D 
averaged and centered moreaubroto autocorrelation of lag 3 weighted by gasteiger charge 

346 
AATSC4c 

2D 
averaged and centered moreaubroto autocorrelation of lag 4 weighted by gasteiger charge 

347 
AATSC5c 

2D 
averaged and centered moreaubroto autocorrelation of lag 5 weighted by gasteiger charge 

348 
AATSC6c 

2D 
averaged and centered moreaubroto autocorrelation of lag 6 weighted by gasteiger charge 

349 
AATSC7c 

2D 
averaged and centered moreaubroto autocorrelation of lag 7 weighted by gasteiger charge 

350 
AATSC8c 

2D 
averaged and centered moreaubroto autocorrelation of lag 8 weighted by gasteiger charge 

351 
AATSC0dv 

2D 
averaged and centered moreaubroto autocorrelation of lag 0 weighted by valence electrons 

352 
AATSC1dv 

2D 
averaged and centered moreaubroto autocorrelation of lag 1 weighted by valence electrons 

353 
AATSC2dv 

2D 
averaged and centered moreaubroto autocorrelation of lag 2 weighted by valence electrons 

354 
AATSC3dv 

2D 
averaged and centered moreaubroto autocorrelation of lag 3 weighted by valence electrons 

355 
AATSC4dv 

2D 
averaged and centered moreaubroto autocorrelation of lag 4 weighted by valence electrons 

356 
AATSC5dv 

2D 
averaged and centered moreaubroto autocorrelation of lag 5 weighted by valence electrons 

357 
AATSC6dv 

2D 
averaged and centered moreaubroto autocorrelation of lag 6 weighted by valence electrons 

358 
AATSC7dv 

2D 
averaged and centered moreaubroto autocorrelation of lag 7 weighted by valence electrons 

359 
AATSC8dv 

2D 
averaged and centered moreaubroto autocorrelation of lag 8 weighted by valence electrons 

360 
AATSC0d 

2D 
averaged and centered moreaubroto autocorrelation of lag 0 weighted by sigma electrons 

361 
AATSC1d 

2D 
averaged and centered moreaubroto autocorrelation of lag 1 weighted by sigma electrons 

362 
AATSC2d 

2D 
averaged and centered moreaubroto autocorrelation of lag 2 weighted by sigma electrons 

363 
AATSC3d 

2D 
averaged and centered moreaubroto autocorrelation of lag 3 weighted by sigma electrons 

364 
AATSC4d 

2D 
averaged and centered moreaubroto autocorrelation of lag 4 weighted by sigma electrons 

365 
AATSC5d 

2D 
averaged and centered moreaubroto autocorrelation of lag 5 weighted by sigma electrons 

366 
AATSC6d 

2D 
averaged and centered moreaubroto autocorrelation of lag 6 weighted by sigma electrons 

367 
AATSC7d 

2D 
averaged and centered moreaubroto autocorrelation of lag 7 weighted by sigma electrons 

368 
AATSC8d 

2D 
averaged and centered moreaubroto autocorrelation of lag 8 weighted by sigma electrons 

369 
AATSC0s 

2D 
averaged and centered moreaubroto autocorrelation of lag 0 weighted by intrinsic state 

370 
AATSC1s 

2D 
averaged and centered moreaubroto autocorrelation of lag 1 weighted by intrinsic state 

371 
AATSC2s 

2D 
averaged and centered moreaubroto autocorrelation of lag 2 weighted by intrinsic state 

372 
AATSC3s 

2D 
averaged and centered moreaubroto autocorrelation of lag 3 weighted by intrinsic state 

373 
AATSC4s 

2D 
averaged and centered moreaubroto autocorrelation of lag 4 weighted by intrinsic state 

374 
AATSC5s 

2D 
averaged and centered moreaubroto autocorrelation of lag 5 weighted by intrinsic state 

375 
AATSC6s 

2D 
averaged and centered moreaubroto autocorrelation of lag 6 weighted by intrinsic state 

376 
AATSC7s 

2D 
averaged and centered moreaubroto autocorrelation of lag 7 weighted by intrinsic state 

377 
AATSC8s 

2D 
averaged and centered moreaubroto autocorrelation of lag 8 weighted by intrinsic state 

378 
AATSC0Z 

2D 
averaged and centered moreaubroto autocorrelation of lag 0 weighted by atomic number 

379 
AATSC1Z 

2D 
averaged and centered moreaubroto autocorrelation of lag 1 weighted by atomic number 

380 
AATSC2Z 

2D 
averaged and centered moreaubroto autocorrelation of lag 2 weighted by atomic number 

381 
AATSC3Z 

2D 
averaged and centered moreaubroto autocorrelation of lag 3 weighted by atomic number 

382 
AATSC4Z 

2D 
averaged and centered moreaubroto autocorrelation of lag 4 weighted by atomic number 

383 
AATSC5Z 

2D 
averaged and centered moreaubroto autocorrelation of lag 5 weighted by atomic number 

384 
AATSC6Z 

2D 
averaged and centered moreaubroto autocorrelation of lag 6 weighted by atomic number 

385 
AATSC7Z 

2D 
averaged and centered moreaubroto autocorrelation of lag 7 weighted by atomic number 

386 
AATSC8Z 

2D 
averaged and centered moreaubroto autocorrelation of lag 8 weighted by atomic number 

387 
AATSC0m 

2D 
averaged and centered moreaubroto autocorrelation of lag 0 weighted by mass 

388 
AATSC1m 

2D 
averaged and centered moreaubroto autocorrelation of lag 1 weighted by mass 

389 
AATSC2m 

2D 
averaged and centered moreaubroto autocorrelation of lag 2 weighted by mass 

390 
AATSC3m 

2D 
averaged and centered moreaubroto autocorrelation of lag 3 weighted by mass 

391 
AATSC4m 

2D 
averaged and centered moreaubroto autocorrelation of lag 4 weighted by mass 

392 
AATSC5m 

2D 
averaged and centered moreaubroto autocorrelation of lag 5 weighted by mass 

393 
AATSC6m 

2D 
averaged and centered moreaubroto autocorrelation of lag 6 weighted by mass 

394 
AATSC7m 

2D 
averaged and centered moreaubroto autocorrelation of lag 7 weighted by mass 

395 
AATSC8m 

2D 
averaged and centered moreaubroto autocorrelation of lag 8 weighted by mass 

396 
AATSC0v 

2D 
averaged and centered moreaubroto autocorrelation of lag 0 weighted by vdw volume 

397 
AATSC1v 

2D 
averaged and centered moreaubroto autocorrelation of lag 1 weighted by vdw volume 

398 
AATSC2v 

2D 
averaged and centered moreaubroto autocorrelation of lag 2 weighted by vdw volume 

399 
AATSC3v 

2D 
averaged and centered moreaubroto autocorrelation of lag 3 weighted by vdw volume 

400 
AATSC4v 

2D 
averaged and centered moreaubroto autocorrelation of lag 4 weighted by vdw volume 

401 
AATSC5v 

2D 
averaged and centered moreaubroto autocorrelation of lag 5 weighted by vdw volume 

402 
AATSC6v 

2D 
averaged and centered moreaubroto autocorrelation of lag 6 weighted by vdw volume 

403 
AATSC7v 

2D 
averaged and centered moreaubroto autocorrelation of lag 7 weighted by vdw volume 

404 
AATSC8v 

2D 
averaged and centered moreaubroto autocorrelation of lag 8 weighted by vdw volume 

405 
AATSC0se 

2D 
averaged and centered moreaubroto autocorrelation of lag 0 weighted by sanderson EN 

406 
AATSC1se 

2D 
averaged and centered moreaubroto autocorrelation of lag 1 weighted by sanderson EN 

407 
AATSC2se 

2D 
averaged and centered moreaubroto autocorrelation of lag 2 weighted by sanderson EN 

408 
AATSC3se 

2D 
averaged and centered moreaubroto autocorrelation of lag 3 weighted by sanderson EN 

409 
AATSC4se 

2D 
averaged and centered moreaubroto autocorrelation of lag 4 weighted by sanderson EN 

410 
AATSC5se 

2D 
averaged and centered moreaubroto autocorrelation of lag 5 weighted by sanderson EN 

411 
AATSC6se 

2D 
averaged and centered moreaubroto autocorrelation of lag 6 weighted by sanderson EN 

412 
AATSC7se 

2D 
averaged and centered moreaubroto autocorrelation of lag 7 weighted by sanderson EN 

413 
AATSC8se 

2D 
averaged and centered moreaubroto autocorrelation of lag 8 weighted by sanderson EN 

414 
AATSC0pe 

2D 
averaged and centered moreaubroto autocorrelation of lag 0 weighted by pauling EN 

415 
AATSC1pe 

2D 
averaged and centered moreaubroto autocorrelation of lag 1 weighted by pauling EN 

416 
AATSC2pe 

2D 
averaged and centered moreaubroto autocorrelation of lag 2 weighted by pauling EN 

417 
AATSC3pe 

2D 
averaged and centered moreaubroto autocorrelation of lag 3 weighted by pauling EN 

418 
AATSC4pe 

2D 
averaged and centered moreaubroto autocorrelation of lag 4 weighted by pauling EN 

419 
AATSC5pe 

2D 
averaged and centered moreaubroto autocorrelation of lag 5 weighted by pauling EN 

420 
AATSC6pe 

2D 
averaged and centered moreaubroto autocorrelation of lag 6 weighted by pauling EN 

421 
AATSC7pe 

2D 
averaged and centered moreaubroto autocorrelation of lag 7 weighted by pauling EN 

422 
AATSC8pe 

2D 
averaged and centered moreaubroto autocorrelation of lag 8 weighted by pauling EN 

423 
AATSC0are 

2D 
averaged and centered moreaubroto autocorrelation of lag 0 weighted by allredrocow EN 

424 
AATSC1are 

2D 
averaged and centered moreaubroto autocorrelation of lag 1 weighted by allredrocow EN 

425 
AATSC2are 

2D 
averaged and centered moreaubroto autocorrelation of lag 2 weighted by allredrocow EN 

426 
AATSC3are 

2D 
averaged and centered moreaubroto autocorrelation of lag 3 weighted by allredrocow EN 

427 
AATSC4are 

2D 
averaged and centered moreaubroto autocorrelation of lag 4 weighted by allredrocow EN 

428 
AATSC5are 

2D 
averaged and centered moreaubroto autocorrelation of lag 5 weighted by allredrocow EN 

429 
AATSC6are 

2D 
averaged and centered moreaubroto autocorrelation of lag 6 weighted by allredrocow EN 

430 
AATSC7are 

2D 
averaged and centered moreaubroto autocorrelation of lag 7 weighted by allredrocow EN 

431 
AATSC8are 

2D 
averaged and centered moreaubroto autocorrelation of lag 8 weighted by allredrocow EN 

432 
AATSC0p 

2D 
averaged and centered moreaubroto autocorrelation of lag 0 weighted by polarizability 

433 
AATSC1p 

2D 
averaged and centered moreaubroto autocorrelation of lag 1 weighted by polarizability 

434 
AATSC2p 

2D 
averaged and centered moreaubroto autocorrelation of lag 2 weighted by polarizability 

435 
AATSC3p 

2D 
averaged and centered moreaubroto autocorrelation of lag 3 weighted by polarizability 

436 
AATSC4p 

2D 
averaged and centered moreaubroto autocorrelation of lag 4 weighted by polarizability 

437 
AATSC5p 

2D 
averaged and centered moreaubroto autocorrelation of lag 5 weighted by polarizability 

438 
AATSC6p 

2D 
averaged and centered moreaubroto autocorrelation of lag 6 weighted by polarizability 

439 
AATSC7p 

2D 
averaged and centered moreaubroto autocorrelation of lag 7 weighted by polarizability 

440 
AATSC8p 

2D 
averaged and centered moreaubroto autocorrelation of lag 8 weighted by polarizability 

441 
AATSC0i 

2D 
averaged and centered moreaubroto autocorrelation of lag 0 weighted by ionization potential 

442 
AATSC1i 

2D 
averaged and centered moreaubroto autocorrelation of lag 1 weighted by ionization potential 

443 
AATSC2i 

2D 
averaged and centered moreaubroto autocorrelation of lag 2 weighted by ionization potential 

444 
AATSC3i 

2D 
averaged and centered moreaubroto autocorrelation of lag 3 weighted by ionization potential 

445 
AATSC4i 

2D 
averaged and centered moreaubroto autocorrelation of lag 4 weighted by ionization potential 

446 
AATSC5i 

2D 
averaged and centered moreaubroto autocorrelation of lag 5 weighted by ionization potential 

447 
AATSC6i 

2D 
averaged and centered moreaubroto autocorrelation of lag 6 weighted by ionization potential 

448 
AATSC7i 

2D 
averaged and centered moreaubroto autocorrelation of lag 7 weighted by ionization potential 

449 
AATSC8i 

2D 
averaged and centered moreaubroto autocorrelation of lag 8 weighted by ionization potential 

450 
MATS1c 

2D 
moran coefficient of lag 1 weighted by gasteiger charge 

451 
MATS2c 

2D 
moran coefficient of lag 2 weighted by gasteiger charge 

452 
MATS3c 

2D 
moran coefficient of lag 3 weighted by gasteiger charge 

453 
MATS4c 

2D 
moran coefficient of lag 4 weighted by gasteiger charge 

454 
MATS5c 

2D 
moran coefficient of lag 5 weighted by gasteiger charge 

455 
MATS6c 

2D 
moran coefficient of lag 6 weighted by gasteiger charge 

456 
MATS7c 

2D 
moran coefficient of lag 7 weighted by gasteiger charge 

457 
MATS8c 

2D 
moran coefficient of lag 8 weighted by gasteiger charge 

458 
MATS1dv 

2D 
moran coefficient of lag 1 weighted by valence electrons 

459 
MATS2dv 

2D 
moran coefficient of lag 2 weighted by valence electrons 

460 
MATS3dv 

2D 
moran coefficient of lag 3 weighted by valence electrons 

461 
MATS4dv 

2D 
moran coefficient of lag 4 weighted by valence electrons 

462 
MATS5dv 

2D 
moran coefficient of lag 5 weighted by valence electrons 

463 
MATS6dv 

2D 
moran coefficient of lag 6 weighted by valence electrons 

464 
MATS7dv 

2D 
moran coefficient of lag 7 weighted by valence electrons 

465 
MATS8dv 

2D 
moran coefficient of lag 8 weighted by valence electrons 

466 
MATS1d 

2D 
moran coefficient of lag 1 weighted by sigma electrons 

467 
MATS2d 

2D 
moran coefficient of lag 2 weighted by sigma electrons 

468 
MATS3d 

2D 
moran coefficient of lag 3 weighted by sigma electrons 

469 
MATS4d 

2D 
moran coefficient of lag 4 weighted by sigma electrons 

470 
MATS5d 

2D 
moran coefficient of lag 5 weighted by sigma electrons 

471 
MATS6d 

2D 
moran coefficient of lag 6 weighted by sigma electrons 

472 
MATS7d 

2D 
moran coefficient of lag 7 weighted by sigma electrons 

473 
MATS8d 

2D 
moran coefficient of lag 8 weighted by sigma electrons 

474 
MATS1s 

2D 
moran coefficient of lag 1 weighted by intrinsic state 

475 
MATS2s 

2D 
moran coefficient of lag 2 weighted by intrinsic state 

476 
MATS3s 

2D 
moran coefficient of lag 3 weighted by intrinsic state 

477 
MATS4s 

2D 
moran coefficient of lag 4 weighted by intrinsic state 

478 
MATS5s 

2D 
moran coefficient of lag 5 weighted by intrinsic state 

479 
MATS6s 

2D 
moran coefficient of lag 6 weighted by intrinsic state 

480 
MATS7s 

2D 
moran coefficient of lag 7 weighted by intrinsic state 

481 
MATS8s 

2D 
moran coefficient of lag 8 weighted by intrinsic state 

482 
MATS1Z 

2D 
moran coefficient of lag 1 weighted by atomic number 

483 
MATS2Z 

2D 
moran coefficient of lag 2 weighted by atomic number 

484 
MATS3Z 

2D 
moran coefficient of lag 3 weighted by atomic number 

485 
MATS4Z 

2D 
moran coefficient of lag 4 weighted by atomic number 

486 
MATS5Z 

2D 
moran coefficient of lag 5 weighted by atomic number 

487 
MATS6Z 

2D 
moran coefficient of lag 6 weighted by atomic number 

488 
MATS7Z 

2D 
moran coefficient of lag 7 weighted by atomic number 

489 
MATS8Z 

2D 
moran coefficient of lag 8 weighted by atomic number 

490 
MATS1m 

2D 
moran coefficient of lag 1 weighted by mass 

491 
MATS2m 

2D 
moran coefficient of lag 2 weighted by mass 

492 
MATS3m 

2D 
moran coefficient of lag 3 weighted by mass 

493 
MATS4m 

2D 
moran coefficient of lag 4 weighted by mass 

494 
MATS5m 

2D 
moran coefficient of lag 5 weighted by mass 

495 
MATS6m 

2D 
moran coefficient of lag 6 weighted by mass 

496 
MATS7m 

2D 
moran coefficient of lag 7 weighted by mass 

497 
MATS8m 

2D 
moran coefficient of lag 8 weighted by mass 

498 
MATS1v 

2D 
moran coefficient of lag 1 weighted by vdw volume 

499 
MATS2v 

2D 
moran coefficient of lag 2 weighted by vdw volume 

500 
MATS3v 

2D 
moran coefficient of lag 3 weighted by vdw volume 

501 
MATS4v 

2D 
moran coefficient of lag 4 weighted by vdw volume 

502 
MATS5v 

2D 
moran coefficient of lag 5 weighted by vdw volume 

503 
MATS6v 

2D 
moran coefficient of lag 6 weighted by vdw volume 

504 
MATS7v 

2D 
moran coefficient of lag 7 weighted by vdw volume 

505 
MATS8v 

2D 
moran coefficient of lag 8 weighted by vdw volume 

506 
MATS1se 

2D 
moran coefficient of lag 1 weighted by sanderson EN 

507 
MATS2se 

2D 
moran coefficient of lag 2 weighted by sanderson EN 

508 
MATS3se 

2D 
moran coefficient of lag 3 weighted by sanderson EN 

509 
MATS4se 

2D 
moran coefficient of lag 4 weighted by sanderson EN 

510 
MATS5se 

2D 
moran coefficient of lag 5 weighted by sanderson EN 

511 
MATS6se 

2D 
moran coefficient of lag 6 weighted by sanderson EN 

512 
MATS7se 

2D 
moran coefficient of lag 7 weighted by sanderson EN 

513 
MATS8se 

2D 
moran coefficient of lag 8 weighted by sanderson EN 

514 
MATS1pe 

2D 
moran coefficient of lag 1 weighted by pauling EN 

515 
MATS2pe 

2D 
moran coefficient of lag 2 weighted by pauling EN 

516 
MATS3pe 

2D 
moran coefficient of lag 3 weighted by pauling EN 

517 
MATS4pe 

2D 
moran coefficient of lag 4 weighted by pauling EN 

518 
MATS5pe 

2D 
moran coefficient of lag 5 weighted by pauling EN 

519 
MATS6pe 

2D 
moran coefficient of lag 6 weighted by pauling EN 

520 
MATS7pe 

2D 
moran coefficient of lag 7 weighted by pauling EN 

521 
MATS8pe 

2D 
moran coefficient of lag 8 weighted by pauling EN 

522 
MATS1are 

2D 
moran coefficient of lag 1 weighted by allredrocow EN 

523 
MATS2are 

2D 
moran coefficient of lag 2 weighted by allredrocow EN 

524 
MATS3are 

2D 
moran coefficient of lag 3 weighted by allredrocow EN 

525 
MATS4are 

2D 
moran coefficient of lag 4 weighted by allredrocow EN 

526 
MATS5are 

2D 
moran coefficient of lag 5 weighted by allredrocow EN 

527 
MATS6are 

2D 
moran coefficient of lag 6 weighted by allredrocow EN 

528 
MATS7are 

2D 
moran coefficient of lag 7 weighted by allredrocow EN 

529 
MATS8are 

2D 
moran coefficient of lag 8 weighted by allredrocow EN 

530 
MATS1p 

2D 
moran coefficient of lag 1 weighted by polarizability 

531 
MATS2p 

2D 
moran coefficient of lag 2 weighted by polarizability 

532 
MATS3p 

2D 
moran coefficient of lag 3 weighted by polarizability 

533 
MATS4p 

2D 
moran coefficient of lag 4 weighted by polarizability 

534 
MATS5p 

2D 
moran coefficient of lag 5 weighted by polarizability 

535 
MATS6p 

2D 
moran coefficient of lag 6 weighted by polarizability 

536 
MATS7p 

2D 
moran coefficient of lag 7 weighted by polarizability 

537 
MATS8p 

2D 
moran coefficient of lag 8 weighted by polarizability 

538 
MATS1i 

2D 
moran coefficient of lag 1 weighted by ionization potential 

539 
MATS2i 

2D 
moran coefficient of lag 2 weighted by ionization potential 

540 
MATS3i 

2D 
moran coefficient of lag 3 weighted by ionization potential 

541 
MATS4i 

2D 
moran coefficient of lag 4 weighted by ionization potential 

542 
MATS5i 

2D 
moran coefficient of lag 5 weighted by ionization potential 

543 
MATS6i 

2D 
moran coefficient of lag 6 weighted by ionization potential 

544 
MATS7i 

2D 
moran coefficient of lag 7 weighted by ionization potential 

545 
MATS8i 

2D 
moran coefficient of lag 8 weighted by ionization potential 

546 
GATS1c 

2D 
geary coefficient of lag 1 weighted by gasteiger charge 

547 
GATS2c 

2D 
geary coefficient of lag 2 weighted by gasteiger charge 

548 
GATS3c 

2D 
geary coefficient of lag 3 weighted by gasteiger charge 

549 
GATS4c 

2D 
geary coefficient of lag 4 weighted by gasteiger charge 

550 
GATS5c 

2D 
geary coefficient of lag 5 weighted by gasteiger charge 

551 
GATS6c 

2D 
geary coefficient of lag 6 weighted by gasteiger charge 

552 
GATS7c 

2D 
geary coefficient of lag 7 weighted by gasteiger charge 

553 
GATS8c 

2D 
geary coefficient of lag 8 weighted by gasteiger charge 

554 
GATS1dv 

2D 
geary coefficient of lag 1 weighted by valence electrons 

555 
GATS2dv 

2D 
geary coefficient of lag 2 weighted by valence electrons 

556 
GATS3dv 

2D 
geary coefficient of lag 3 weighted by valence electrons 

557 
GATS4dv 

2D 
geary coefficient of lag 4 weighted by valence electrons 

558 
GATS5dv 

2D 
geary coefficient of lag 5 weighted by valence electrons 

559 
GATS6dv 

2D 
geary coefficient of lag 6 weighted by valence electrons 

560 
GATS7dv 

2D 
geary coefficient of lag 7 weighted by valence electrons 

561 
GATS8dv 

2D 
geary coefficient of lag 8 weighted by valence electrons 

562 
GATS1d 

2D 
geary coefficient of lag 1 weighted by sigma electrons 

563 
GATS2d 

2D 
geary coefficient of lag 2 weighted by sigma electrons 

564 
GATS3d 

2D 
geary coefficient of lag 3 weighted by sigma electrons 

565 
GATS4d 

2D 
geary coefficient of lag 4 weighted by sigma electrons 

566 
GATS5d 

2D 
geary coefficient of lag 5 weighted by sigma electrons 

567 
GATS6d 

2D 
geary coefficient of lag 6 weighted by sigma electrons 

568 
GATS7d 

2D 
geary coefficient of lag 7 weighted by sigma electrons 

569 
GATS8d 

2D 
geary coefficient of lag 8 weighted by sigma electrons 

570 
GATS1s 

2D 
geary coefficient of lag 1 weighted by intrinsic state 

571 
GATS2s 

2D 
geary coefficient of lag 2 weighted by intrinsic state 

572 
GATS3s 

2D 
geary coefficient of lag 3 weighted by intrinsic state 

573 
GATS4s 

2D 
geary coefficient of lag 4 weighted by intrinsic state 

574 
GATS5s 

2D 
geary coefficient of lag 5 weighted by intrinsic state 

575 
GATS6s 

2D 
geary coefficient of lag 6 weighted by intrinsic state 

576 
GATS7s 

2D 
geary coefficient of lag 7 weighted by intrinsic state 

577 
GATS8s 

2D 
geary coefficient of lag 8 weighted by intrinsic state 

578 
GATS1Z 

2D 
geary coefficient of lag 1 weighted by atomic number 

579 
GATS2Z 

2D 
geary coefficient of lag 2 weighted by atomic number 

580 
GATS3Z 

2D 
geary coefficient of lag 3 weighted by atomic number 

581 
GATS4Z 

2D 
geary coefficient of lag 4 weighted by atomic number 

582 
GATS5Z 

2D 
geary coefficient of lag 5 weighted by atomic number 

583 
GATS6Z 

2D 
geary coefficient of lag 6 weighted by atomic number 

584 
GATS7Z 

2D 
geary coefficient of lag 7 weighted by atomic number 

585 
GATS8Z 

2D 
geary coefficient of lag 8 weighted by atomic number 

586 
GATS1m 

2D 
geary coefficient of lag 1 weighted by mass 

587 
GATS2m 

2D 
geary coefficient of lag 2 weighted by mass 

588 
GATS3m 

2D 
geary coefficient of lag 3 weighted by mass 

589 
GATS4m 

2D 
geary coefficient of lag 4 weighted by mass 

590 
GATS5m 

2D 
geary coefficient of lag 5 weighted by mass 

591 
GATS6m 

2D 
geary coefficient of lag 6 weighted by mass 

592 
GATS7m 

2D 
geary coefficient of lag 7 weighted by mass 

593 
GATS8m 

2D 
geary coefficient of lag 8 weighted by mass 

594 
GATS1v 

2D 
geary coefficient of lag 1 weighted by vdw volume 

595 
GATS2v 

2D 
geary coefficient of lag 2 weighted by vdw volume 

596 
GATS3v 

2D 
geary coefficient of lag 3 weighted by vdw volume 

597 
GATS4v 

2D 
geary coefficient of lag 4 weighted by vdw volume 

598 
GATS5v 

2D 
geary coefficient of lag 5 weighted by vdw volume 

599 
GATS6v 

2D 
geary coefficient of lag 6 weighted by vdw volume 

600 
GATS7v 

2D 
geary coefficient of lag 7 weighted by vdw volume 

601 
GATS8v 

2D 
geary coefficient of lag 8 weighted by vdw volume 

602 
GATS1se 

2D 
geary coefficient of lag 1 weighted by sanderson EN 

603 
GATS2se 

2D 
geary coefficient of lag 2 weighted by sanderson EN 

604 
GATS3se 

2D 
geary coefficient of lag 3 weighted by sanderson EN 

605 
GATS4se 

2D 
geary coefficient of lag 4 weighted by sanderson EN 

606 
GATS5se 

2D 
geary coefficient of lag 5 weighted by sanderson EN 

607 
GATS6se 

2D 
geary coefficient of lag 6 weighted by sanderson EN 

608 
GATS7se 

2D 
geary coefficient of lag 7 weighted by sanderson EN 

609 
GATS8se 

2D 
geary coefficient of lag 8 weighted by sanderson EN 

610 
GATS1pe 

2D 
geary coefficient of lag 1 weighted by pauling EN 

611 
GATS2pe 

2D 
geary coefficient of lag 2 weighted by pauling EN 

612 
GATS3pe 

2D 
geary coefficient of lag 3 weighted by pauling EN 

613 
GATS4pe 

2D 
geary coefficient of lag 4 weighted by pauling EN 

614 
GATS5pe 

2D 
geary coefficient of lag 5 weighted by pauling EN 

615 
GATS6pe 

2D 
geary coefficient of lag 6 weighted by pauling EN 

616 
GATS7pe 

2D 
geary coefficient of lag 7 weighted by pauling EN 

617 
GATS8pe 

2D 
geary coefficient of lag 8 weighted by pauling EN 

618 
GATS1are 

2D 
geary coefficient of lag 1 weighted by allredrocow EN 

619 
GATS2are 

2D 
geary coefficient of lag 2 weighted by allredrocow EN 

620 
GATS3are 

2D 
geary coefficient of lag 3 weighted by allredrocow EN 

621 
GATS4are 

2D 
geary coefficient of lag 4 weighted by allredrocow EN 

622 
GATS5are 

2D 
geary coefficient of lag 5 weighted by allredrocow EN 

623 
GATS6are 

2D 
geary coefficient of lag 6 weighted by allredrocow EN 

624 
GATS7are 

2D 
geary coefficient of lag 7 weighted by allredrocow EN 

625 
GATS8are 

2D 
geary coefficient of lag 8 weighted by allredrocow EN 

626 
GATS1p 

2D 
geary coefficient of lag 1 weighted by polarizability 

627 
GATS2p 

2D 
geary coefficient of lag 2 weighted by polarizability 

628 
GATS3p 

2D 
geary coefficient of lag 3 weighted by polarizability 

629 
GATS4p 

2D 
geary coefficient of lag 4 weighted by polarizability 

630 
GATS5p 

2D 
geary coefficient of lag 5 weighted by polarizability 

631 
GATS6p 

2D 
geary coefficient of lag 6 weighted by polarizability 

632 
GATS7p 

2D 
geary coefficient of lag 7 weighted by polarizability 

633 
GATS8p 

2D 
geary coefficient of lag 8 weighted by polarizability 

634 
GATS1i 

2D 
geary coefficient of lag 1 weighted by ionization potential 

635 
GATS2i 

2D 
geary coefficient of lag 2 weighted by ionization potential 

636 
GATS3i 

2D 
geary coefficient of lag 3 weighted by ionization potential 

637 
GATS4i 

2D 
geary coefficient of lag 4 weighted by ionization potential 

638 
GATS5i 

2D 
geary coefficient of lag 5 weighted by ionization potential 

639 
GATS6i 

2D 
geary coefficient of lag 6 weighted by ionization potential 

640 
GATS7i 

2D 
geary coefficient of lag 7 weighted by ionization potential 

641 
GATS8i 

2D 
geary coefficient of lag 8 weighted by ionization potential 

642 
BCUTc1h 

2D 
first heighest eigenvalue of Burden matrix weighted by gasteiger charge 

643 
BCUTc1l 

2D 
first lowest eigenvalue of Burden matrix weighted by gasteiger charge 

644 
BCUTdv1h 

2D 
first heighest eigenvalue of Burden matrix weighted by valence electrons 

645 
BCUTdv1l 

2D 
first lowest eigenvalue of Burden matrix weighted by valence electrons 

646 
BCUTd1h 

2D 
first heighest eigenvalue of Burden matrix weighted by sigma electrons 

647 
BCUTd1l 

2D 
first lowest eigenvalue of Burden matrix weighted by sigma electrons 

648 
BCUTs1h 

2D 
first heighest eigenvalue of Burden matrix weighted by intrinsic state 

649 
BCUTs1l 

2D 
first lowest eigenvalue of Burden matrix weighted by intrinsic state 

650 
BCUTZ1h 

2D 
first heighest eigenvalue of Burden matrix weighted by atomic number 

651 
BCUTZ1l 

2D 
first lowest eigenvalue of Burden matrix weighted by atomic number 

652 
BCUTm1h 

2D 
first heighest eigenvalue of Burden matrix weighted by mass 

653 
BCUTm1l 

2D 
first lowest eigenvalue of Burden matrix weighted by mass 

654 
BCUTv1h 

2D 
first heighest eigenvalue of Burden matrix weighted by vdw volume 

655 
BCUTv1l 

2D 
first lowest eigenvalue of Burden matrix weighted by vdw volume 

656 
BCUTse1h 

2D 
first heighest eigenvalue of Burden matrix weighted by sanderson EN 

657 
BCUTse1l 

2D 
first lowest eigenvalue of Burden matrix weighted by sanderson EN 

658 
BCUTpe1h 

2D 
first heighest eigenvalue of Burden matrix weighted by pauling EN 

659 
BCUTpe1l 

2D 
first lowest eigenvalue of Burden matrix weighted by pauling EN 

660 
BCUTare1h 

2D 
first heighest eigenvalue of Burden matrix weighted by allredrocow EN 

661 
BCUTare1l 

2D 
first lowest eigenvalue of Burden matrix weighted by allredrocow EN 

662 
BCUTp1h 

2D 
first heighest eigenvalue of Burden matrix weighted by polarizability 

663 
BCUTp1l 

2D 
first lowest eigenvalue of Burden matrix weighted by polarizability 

664 
BCUTi1h 

2D 
first heighest eigenvalue of Burden matrix weighted by ionization potential 

665 
BCUTi1l 

2D 
first lowest eigenvalue of Burden matrix weighted by ionization potential 

666 
BalabanJ 

2D 
Balaban’s J index 

667 
SpAbs_DzZ 

2D 
graph energy from Barysz matrix weighted by atomic number 

668 
SpMax_DzZ 

2D 
leading eigenvalue from Barysz matrix weighted by atomic number 

669 
SpDiam_DzZ 

2D 
spectral diamiter from Barysz matrix weighted by atomic number 

670 
SpAD_DzZ 

2D 
spectral absolute diviation from Barysz matrix weighted by atomic number 

671 
SpMAD_DzZ 

2D 
spectral mean absolute diviation from Barysz matrix weighted by atomic number 

672 
LogEE_DzZ 

2D 
Estradalike index from Barysz matrix weighted by atomic number 

673 
SM1_DzZ 

2D 
spectral moment from Barysz matrix weighted by atomic number 

674 
VE1_DzZ 

2D 
coefficient sum of the last eigenvector from Barysz matrix weighted by atomic number 

675 
VE2_DzZ 

2D 
average coefficient of the last eigenvector from Barysz matrix weighted by atomic number 

676 
VE3_DzZ 

2D 
logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by atomic number 

677 
VR1_DzZ 

2D 
Randiclike eigenvectorbased index from Barysz matrix weighted by atomic number 

678 
VR2_DzZ 

2D 
normalized Randiclike eigenvectorbased index from Barysz matrix weighted by atomic number 

679 
VR3_DzZ 

2D 
logarithmic Randiclike eigenvectorbased index from Barysz matrix weighted by atomic number 

680 
SpAbs_Dzm 

2D 
graph energy from Barysz matrix weighted by mass 

681 
SpMax_Dzm 

2D 
leading eigenvalue from Barysz matrix weighted by mass 

682 
SpDiam_Dzm 

2D 
spectral diamiter from Barysz matrix weighted by mass 

683 
SpAD_Dzm 

2D 
spectral absolute diviation from Barysz matrix weighted by mass 

684 
SpMAD_Dzm 

2D 
spectral mean absolute diviation from Barysz matrix weighted by mass 

685 
LogEE_Dzm 

2D 
Estradalike index from Barysz matrix weighted by mass 

686 
SM1_Dzm 

2D 
spectral moment from Barysz matrix weighted by mass 

687 
VE1_Dzm 

2D 
coefficient sum of the last eigenvector from Barysz matrix weighted by mass 

688 
VE2_Dzm 

2D 
average coefficient of the last eigenvector from Barysz matrix weighted by mass 

689 
VE3_Dzm 

2D 
logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by mass 

690 
VR1_Dzm 

2D 
Randiclike eigenvectorbased index from Barysz matrix weighted by mass 

691 
VR2_Dzm 

2D 
normalized Randiclike eigenvectorbased index from Barysz matrix weighted by mass 

692 
VR3_Dzm 

2D 
logarithmic Randiclike eigenvectorbased index from Barysz matrix weighted by mass 

693 
SpAbs_Dzv 

2D 
graph energy from Barysz matrix weighted by vdw volume 

694 
SpMax_Dzv 

2D 
leading eigenvalue from Barysz matrix weighted by vdw volume 

695 
SpDiam_Dzv 

2D 
spectral diamiter from Barysz matrix weighted by vdw volume 

696 
SpAD_Dzv 

2D 
spectral absolute diviation from Barysz matrix weighted by vdw volume 

697 
SpMAD_Dzv 

2D 
spectral mean absolute diviation from Barysz matrix weighted by vdw volume 

698 
LogEE_Dzv 

2D 
Estradalike index from Barysz matrix weighted by vdw volume 

699 
SM1_Dzv 

2D 
spectral moment from Barysz matrix weighted by vdw volume 

700 
VE1_Dzv 

2D 
coefficient sum of the last eigenvector from Barysz matrix weighted by vdw volume 

701 
VE2_Dzv 

2D 
average coefficient of the last eigenvector from Barysz matrix weighted by vdw volume 

702 
VE3_Dzv 

2D 
logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by vdw volume 

703 
VR1_Dzv 

2D 
Randiclike eigenvectorbased index from Barysz matrix weighted by vdw volume 

704 
VR2_Dzv 

2D 
normalized Randiclike eigenvectorbased index from Barysz matrix weighted by vdw volume 

705 
VR3_Dzv 

2D 
logarithmic Randiclike eigenvectorbased index from Barysz matrix weighted by vdw volume 

706 
SpAbs_Dzse 

2D 
graph energy from Barysz matrix weighted by sanderson EN 

707 
SpMax_Dzse 

2D 
leading eigenvalue from Barysz matrix weighted by sanderson EN 

708 
SpDiam_Dzse 

2D 
spectral diamiter from Barysz matrix weighted by sanderson EN 

709 
SpAD_Dzse 

2D 
spectral absolute diviation from Barysz matrix weighted by sanderson EN 

710 
SpMAD_Dzse 

2D 
spectral mean absolute diviation from Barysz matrix weighted by sanderson EN 

711 
LogEE_Dzse 

2D 
Estradalike index from Barysz matrix weighted by sanderson EN 

712 
SM1_Dzse 

2D 
spectral moment from Barysz matrix weighted by sanderson EN 

713 
VE1_Dzse 

2D 
coefficient sum of the last eigenvector from Barysz matrix weighted by sanderson EN 

714 
VE2_Dzse 

2D 
average coefficient of the last eigenvector from Barysz matrix weighted by sanderson EN 

715 
VE3_Dzse 

2D 
logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by sanderson EN 

716 
VR1_Dzse 

2D 
Randiclike eigenvectorbased index from Barysz matrix weighted by sanderson EN 

717 
VR2_Dzse 

2D 
normalized Randiclike eigenvectorbased index from Barysz matrix weighted by sanderson EN 

718 
VR3_Dzse 

2D 
logarithmic Randiclike eigenvectorbased index from Barysz matrix weighted by sanderson EN 

719 
SpAbs_Dzpe 

2D 
graph energy from Barysz matrix weighted by pauling EN 

720 
SpMax_Dzpe 

2D 
leading eigenvalue from Barysz matrix weighted by pauling EN 

721 
SpDiam_Dzpe 

2D 
spectral diamiter from Barysz matrix weighted by pauling EN 

722 
SpAD_Dzpe 

2D 
spectral absolute diviation from Barysz matrix weighted by pauling EN 

723 
SpMAD_Dzpe 

2D 
spectral mean absolute diviation from Barysz matrix weighted by pauling EN 

724 
LogEE_Dzpe 

2D 
Estradalike index from Barysz matrix weighted by pauling EN 

725 
SM1_Dzpe 

2D 
spectral moment from Barysz matrix weighted by pauling EN 

726 
VE1_Dzpe 

2D 
coefficient sum of the last eigenvector from Barysz matrix weighted by pauling EN 

727 
VE2_Dzpe 

2D 
average coefficient of the last eigenvector from Barysz matrix weighted by pauling EN 

728 
VE3_Dzpe 

2D 
logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by pauling EN 

729 
VR1_Dzpe 

2D 
Randiclike eigenvectorbased index from Barysz matrix weighted by pauling EN 

730 
VR2_Dzpe 

2D 
normalized Randiclike eigenvectorbased index from Barysz matrix weighted by pauling EN 

731 
VR3_Dzpe 

2D 
logarithmic Randiclike eigenvectorbased index from Barysz matrix weighted by pauling EN 

732 
SpAbs_Dzare 

2D 
graph energy from Barysz matrix weighted by allredrocow EN 

733 
SpMax_Dzare 

2D 
leading eigenvalue from Barysz matrix weighted by allredrocow EN 

734 
SpDiam_Dzare 

2D 
spectral diamiter from Barysz matrix weighted by allredrocow EN 

735 
SpAD_Dzare 

2D 
spectral absolute diviation from Barysz matrix weighted by allredrocow EN 

736 
SpMAD_Dzare 

2D 
spectral mean absolute diviation from Barysz matrix weighted by allredrocow EN 

737 
LogEE_Dzare 

2D 
Estradalike index from Barysz matrix weighted by allredrocow EN 

738 
SM1_Dzare 

2D 
spectral moment from Barysz matrix weighted by allredrocow EN 

739 
VE1_Dzare 

2D 
coefficient sum of the last eigenvector from Barysz matrix weighted by allredrocow EN 

740 
VE2_Dzare 

2D 
average coefficient of the last eigenvector from Barysz matrix weighted by allredrocow EN 

741 
VE3_Dzare 

2D 
logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by allredrocow EN 

742 
VR1_Dzare 

2D 
Randiclike eigenvectorbased index from Barysz matrix weighted by allredrocow EN 

743 
VR2_Dzare 

2D 
normalized Randiclike eigenvectorbased index from Barysz matrix weighted by allredrocow EN 

744 
VR3_Dzare 

2D 
logarithmic Randiclike eigenvectorbased index from Barysz matrix weighted by allredrocow EN 

745 
SpAbs_Dzp 

2D 
graph energy from Barysz matrix weighted by polarizability 

746 
SpMax_Dzp 

2D 
leading eigenvalue from Barysz matrix weighted by polarizability 

747 
SpDiam_Dzp 

2D 
spectral diamiter from Barysz matrix weighted by polarizability 

748 
SpAD_Dzp 

2D 
spectral absolute diviation from Barysz matrix weighted by polarizability 

749 
SpMAD_Dzp 

2D 
spectral mean absolute diviation from Barysz matrix weighted by polarizability 

750 
LogEE_Dzp 

2D 
Estradalike index from Barysz matrix weighted by polarizability 

751 
SM1_Dzp 

2D 
spectral moment from Barysz matrix weighted by polarizability 

752 
VE1_Dzp 

2D 
coefficient sum of the last eigenvector from Barysz matrix weighted by polarizability 

753 
VE2_Dzp 

2D 
average coefficient of the last eigenvector from Barysz matrix weighted by polarizability 

754 
VE3_Dzp 

2D 
logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by polarizability 

755 
VR1_Dzp 

2D 
Randiclike eigenvectorbased index from Barysz matrix weighted by polarizability 

756 
VR2_Dzp 

2D 
normalized Randiclike eigenvectorbased index from Barysz matrix weighted by polarizability 

757 
VR3_Dzp 

2D 
logarithmic Randiclike eigenvectorbased index from Barysz matrix weighted by polarizability 

758 
SpAbs_Dzi 

2D 
graph energy from Barysz matrix weighted by ionization potential 

759 
SpMax_Dzi 

2D 
leading eigenvalue from Barysz matrix weighted by ionization potential 

760 
SpDiam_Dzi 

2D 
spectral diamiter from Barysz matrix weighted by ionization potential 

761 
SpAD_Dzi 

2D 
spectral absolute diviation from Barysz matrix weighted by ionization potential 

762 
SpMAD_Dzi 

2D 
spectral mean absolute diviation from Barysz matrix weighted by ionization potential 

763 
LogEE_Dzi 

2D 
Estradalike index from Barysz matrix weighted by ionization potential 

764 
SM1_Dzi 

2D 
spectral moment from Barysz matrix weighted by ionization potential 

765 
VE1_Dzi 

2D 
coefficient sum of the last eigenvector from Barysz matrix weighted by ionization potential 

766 
VE2_Dzi 

2D 
average coefficient of the last eigenvector from Barysz matrix weighted by ionization potential 

767 
VE3_Dzi 

2D 
logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by ionization potential 

768 
VR1_Dzi 

2D 
Randiclike eigenvectorbased index from Barysz matrix weighted by ionization potential 

769 
VR2_Dzi 

2D 
normalized Randiclike eigenvectorbased index from Barysz matrix weighted by ionization potential 

770 
VR3_Dzi 

2D 
logarithmic Randiclike eigenvectorbased index from Barysz matrix weighted by ionization potential 

771 
BertzCT 

2D 
Bertz CT 

772 
nBonds 

2D 
number of all bonds in nonkekulized structure 

773 
nBondsO 

2D 
number of bonds connecting to heavy atom in nonkekulized structure 

774 
nBondsS 

2D 
number of single bonds in nonkekulized structure 

775 
nBondsD 

2D 
number of double bonds in nonkekulized structure 

776 
nBondsT 

2D 
number of triple bonds in nonkekulized structure 

777 
nBondsA 

2D 
number of aromatic bonds in nonkekulized structure 

778 
nBondsM 

2D 
number of multiple bonds in nonkekulized structure 

779 
nBondsKS 

2D 
number of single bonds in kekulized structure 

780 
nBondsKD 

2D 
number of double bonds in kekulized structure 

781 
PNSA1 

3D 
partial negative surface area (version 1) 

782 
PNSA2 

3D 
partial negative surface area (version 2) 

783 
PNSA3 

3D 
partial negative surface area (version 3) 

784 
PNSA4 

3D 
partial negative surface area (version 4) 

785 
PNSA5 

3D 
partial negative surface area (version 5) 

786 
PPSA1 

3D 
partial positive surface area (version 1) 

787 
PPSA2 

3D 
partial positive surface area (version 2) 

788 
PPSA3 

3D 
partial positive surface area (version 3) 

789 
PPSA4 

3D 
partial positive surface area (version 4) 

790 
PPSA5 

3D 
partial positive surface area (version 5) 

791 
DPSA1 

3D 
difference in charged partial surface area (version 1) 

792 
DPSA2 

3D 
difference in charged partial surface area (version 2) 

793 
DPSA3 

3D 
difference in charged partial surface area (version 3) 

794 
DPSA4 

3D 
difference in charged partial surface area (version 4) 

795 
DPSA5 

3D 
difference in charged partial surface area (version 5) 

796 
FNSA1 

3D 
fractional charged partial negative surface area (version 1) 

797 
FNSA2 

3D 
fractional charged partial negative surface area (version 2) 

798 
FNSA3 

3D 
fractional charged partial negative surface area (version 3) 

799 
FNSA4 

3D 
fractional charged partial negative surface area (version 4) 

800 
FNSA5 

3D 
fractional charged partial negative surface area (version 5) 

801 
FPSA1 

3D 
fractional charged partial positive surface area (version 1) 

802 
FPSA2 

3D 
fractional charged partial positive surface area (version 2) 

803 
FPSA3 

3D 
fractional charged partial positive surface area (version 3) 

804 
FPSA4 

3D 
fractional charged partial positive surface area (version 4) 

805 
FPSA5 

3D 
fractional charged partial positive surface area (version 5) 

806 
WNSA1 

3D 
surface weighted charged partial negative surface area (version 1) 

807 
WNSA2 

3D 
surface weighted charged partial negative surface area (version 2) 

808 
WNSA3 

3D 
surface weighted charged partial negative surface area (version 3) 

809 
WNSA4 

3D 
surface weighted charged partial negative surface area (version 4) 

810 
WNSA5 

3D 
surface weighted charged partial negative surface area (version 5) 

811 
WPSA1 

3D 
surface weighted charged partial positive surface area (version 1) 

812 
WPSA2 

3D 
surface weighted charged partial positive surface area (version 2) 

813 
WPSA3 

3D 
surface weighted charged partial positive surface area (version 3) 

814 
WPSA4 

3D 
surface weighted charged partial positive surface area (version 4) 

815 
WPSA5 

3D 
surface weighted charged partial positive surface area (version 5) 

816 
RNCG 

2D 
relative negative charge 

817 
RPCG 

2D 
relative positive charge 

818 
RNCS 

3D 
relative negative charge surface area 

819 
RPCS 

3D 
relative positive charge surface area 

820 
TASA 

3D 
total hydrophobic surface area 

821 
TPSA 

3D 
total polar surface area 

822 
RASA 

3D 
relative hydrophobic surface area 

823 
RPSA 

3D 
relative polar surface area 

824 
C1SP1 

2D 
SP carbon bound to 1 other carbon 

825 
C2SP1 

2D 
SP carbon bound to 2 other carbons 

826 
C1SP2 

2D 
SP2 carbon bound to 1 other carbon 

827 
C2SP2 

2D 
SP2 carbon bound to 2 other carbons 

828 
C3SP2 

2D 
SP2 carbon bound to 3 other carbons 

829 
C1SP3 

2D 
SP3 carbon bound to 1 other carbon 

830 
C2SP3 

2D 
SP3 carbon bound to 2 other carbons 

831 
C3SP3 

2D 
SP3 carbon bound to 3 other carbons 

832 
C4SP3 

2D 
SP3 carbon bound to 4 other carbons 

833 
HybRatio 
2D 
hybridization ratio 

834 
FCSP3 

2D 
the fraction of C atoms that are SP3 hybridized 

835 
Xch3d 

2D 
3ordered Chi chain weighted by sigma electrons 

836 
Xch4d 

2D 
4ordered Chi chain weighted by sigma electrons 

837 
Xch5d 

2D 
5ordered Chi chain weighted by sigma electrons 

838 
Xch6d 

2D 
6ordered Chi chain weighted by sigma electrons 

839 
Xch7d 

2D 
7ordered Chi chain weighted by sigma electrons 

840 
Xch3dv 

2D 
3ordered Chi chain weighted by valence electrons 

841 
Xch4dv 

2D 
4ordered Chi chain weighted by valence electrons 

842 
Xch5dv 

2D 
5ordered Chi chain weighted by valence electrons 

843 
Xch6dv 

2D 
6ordered Chi chain weighted by valence electrons 

844 
Xch7dv 

2D 
7ordered Chi chain weighted by valence electrons 

845 
Xc3d 

2D 
3ordered Chi cluster weighted by sigma electrons 

846 
Xc4d 

2D 
4ordered Chi cluster weighted by sigma electrons 

847 
Xc5d 

2D 
5ordered Chi cluster weighted by sigma electrons 

848 
Xc6d 

2D 
6ordered Chi cluster weighted by sigma electrons 

849 
Xc3dv 

2D 
3ordered Chi cluster weighted by valence electrons 

850 
Xc4dv 

2D 
4ordered Chi cluster weighted by valence electrons 

851 
Xc5dv 

2D 
5ordered Chi cluster weighted by valence electrons 

852 
Xc6dv 

2D 
6ordered Chi cluster weighted by valence electrons 

853 
Xpc4d 

2D 
4ordered Chi pathcluster weighted by sigma electrons 

854 
Xpc5d 

2D 
5ordered Chi pathcluster weighted by sigma electrons 

855 
Xpc6d 

2D 
6ordered Chi pathcluster weighted by sigma electrons 

856 
Xpc4dv 

2D 
4ordered Chi pathcluster weighted by valence electrons 

857 
Xpc5dv 

2D 
5ordered Chi pathcluster weighted by valence electrons 

858 
Xpc6dv 

2D 
6ordered Chi pathcluster weighted by valence electrons 

859 
Xp0d 

2D 
0ordered Chi path weighted by sigma electrons 

860 
Xp1d 

2D 
1ordered Chi path weighted by sigma electrons 

861 
Xp2d 

2D 
2ordered Chi path weighted by sigma electrons 

862 
Xp3d 

2D 
3ordered Chi path weighted by sigma electrons 

863 
Xp4d 

2D 
4ordered Chi path weighted by sigma electrons 

864 
Xp5d 

2D 
5ordered Chi path weighted by sigma electrons 

865 
Xp6d 

2D 
6ordered Chi path weighted by sigma electrons 

866 
Xp7d 

2D 
7ordered Chi path weighted by sigma electrons 

867 
AXp0d 

2D 
0ordered averaged Chi path weighted by sigma electrons 

868 
AXp1d 

2D 
1ordered averaged Chi path weighted by sigma electrons 

869 
AXp2d 

2D 
2ordered averaged Chi path weighted by sigma electrons 

870 
AXp3d 

2D 
3ordered averaged Chi path weighted by sigma electrons 

871 
AXp4d 

2D 
4ordered averaged Chi path weighted by sigma electrons 

872 
AXp5d 

2D 
5ordered averaged Chi path weighted by sigma electrons 

873 
AXp6d 

2D 
6ordered averaged Chi path weighted by sigma electrons 

874 
AXp7d 

2D 
7ordered averaged Chi path weighted by sigma electrons 

875 
Xp0dv 

2D 
0ordered Chi path weighted by valence electrons 

876 
Xp1dv 

2D 
1ordered Chi path weighted by valence electrons 

877 
Xp2dv 

2D 
2ordered Chi path weighted by valence electrons 

878 
Xp3dv 

2D 
3ordered Chi path weighted by valence electrons 

879 
Xp4dv 

2D 
4ordered Chi path weighted by valence electrons 

880 
Xp5dv 

2D 
5ordered Chi path weighted by valence electrons 

881 
Xp6dv 

2D 
6ordered Chi path weighted by valence electrons 

882 
Xp7dv 

2D 
7ordered Chi path weighted by valence electrons 

883 
AXp0dv 

2D 
0ordered averaged Chi path weighted by valence electrons 

884 
AXp1dv 

2D 
1ordered averaged Chi path weighted by valence electrons 

885 
AXp2dv 

2D 
2ordered averaged Chi path weighted by valence electrons 

886 
AXp3dv 

2D 
3ordered averaged Chi path weighted by valence electrons 

887 
AXp4dv 

2D 
4ordered averaged Chi path weighted by valence electrons 

888 
AXp5dv 

2D 
5ordered averaged Chi path weighted by valence electrons 

889 
AXp6dv 

2D 
6ordered averaged Chi path weighted by valence electrons 

890 
AXp7dv 

2D 
7ordered averaged Chi path weighted by valence electrons 

891 
SZ 

2D 
sum of constitutional weighted by atomic number 

892 
Sm 

2D 
sum of constitutional weighted by mass 

893 
Sv 

2D 
sum of constitutional weighted by vdw volume 

894 
Sse 

2D 
sum of constitutional weighted by sanderson EN 

895 
Spe 

2D 
sum of constitutional weighted by pauling EN 

896 
Sare 

2D 
sum of constitutional weighted by allredrocow EN 

897 
Sp 

2D 
sum of constitutional weighted by polarizability 

898 
Si 

2D 
sum of constitutional weighted by ionization potential 

899 
MZ 

2D 
mean of constitutional weighted by atomic number 

900 
Mm 

2D 
mean of constitutional weighted by mass 

901 
Mv 

2D 
mean of constitutional weighted by vdw volume 

902 
Mse 

2D 
mean of constitutional weighted by sanderson EN 

903 
Mpe 

2D 
mean of constitutional weighted by pauling EN 

904 
Mare 

2D 
mean of constitutional weighted by allredrocow EN 

905 
Mp 

2D 
mean of constitutional weighted by polarizability 

906 
Mi 

2D 
mean of constitutional weighted by ionization potential 

907 
SpAbs_Dt 

2D 
graph energy from detourn matrix 

908 
SpMax_Dt 

2D 
leading eigenvalue from detourn matrix 

909 
SpDiam_Dt 

2D 
spectral diamiter from detourn matrix 

910 
SpAD_Dt 

2D 
spectral absolute diviation from detourn matrix 

911 
SpMAD_Dt 

2D 
spectral mean absolute diviation from detourn matrix 

912 
LogEE_Dt 

2D 
Estradalike index from detourn matrix 

913 
SM1_Dt 

2D 
spectral moment from detourn matrix 

914 
VE1_Dt 

2D 
coefficient sum of the last eigenvector from detourn matrix 

915 
VE2_Dt 

2D 
average coefficient of the last eigenvector from detourn matrix 

916 
VE3_Dt 

2D 
logarithmic coefficient sum of the last eigenvector from detourn matrix 

917 
VR1_Dt 

2D 
Randiclike eigenvectorbased index from detourn matrix 

918 
VR2_Dt 

2D 
normalized Randiclike eigenvectorbased index from detourn matrix 

919 
VR3_Dt 

2D 
logarithmic Randiclike eigenvectorbased index from detourn matrix 

920 
DetourIndex 

2D 
detour index 

921 
SpAbs_D 

2D 
graph energy from distance matrix 

922 
SpMax_D 

2D 
leading eigenvalue from distance matrix 

923 
SpDiam_D 

2D 
spectral diamiter from distance matrix 

924 
SpAD_D 

2D 
spectral absolute diviation from distance matrix 

925 
SpMAD_D 

2D 
spectral mean absolute diviation from distance matrix 

926 
LogEE_D 

2D 
Estradalike index from distance matrix 

927 
VE1_D 

2D 
coefficient sum of the last eigenvector from distance matrix 

928 
VE2_D 

2D 
average coefficient of the last eigenvector from distance matrix 

929 
VE3_D 

2D 
logarithmic coefficient sum of the last eigenvector from distance matrix 

930 
VR1_D 

2D 
Randiclike eigenvectorbased index from distance matrix 

931 
VR2_D 

2D 
normalized Randiclike eigenvectorbased index from distance matrix 

932 
VR3_D 

2D 
logarithmic Randiclike eigenvectorbased index from distance matrix 

933 
NsLi 

2D 
number of sLi 

934 
NssBe 

2D 
number of ssBe 

935 
NssssBe 

2D 
number of ssssBe 

936 
NssBH 

2D 
number of ssBH 

937 
NsssB 

2D 
number of sssB 

938 
NssssB 

2D 
number of ssssB 

939 
NsCH3 

2D 
number of sCH3 

940 
NdCH2 

2D 
number of dCH2 

941 
NssCH2 

2D 
number of ssCH2 

942 
NtCH 

2D 
number of tCH 

943 
NdsCH 

2D 
number of dsCH 

944 
NaaCH 

2D 
number of aaCH 

945 
NsssCH 

2D 
number of sssCH 

946 
NddC 

2D 
number of ddC 

947 
NtsC 

2D 
number of tsC 

948 
NdssC 

2D 
number of dssC 

949 
NaasC 

2D 
number of aasC 

950 
NaaaC 

2D 
number of aaaC 

951 
NssssC 

2D 
number of ssssC 

952 
NsNH3 

2D 
number of sNH3 

953 
NsNH2 

2D 
number of sNH2 

954 
NssNH2 

2D 
number of ssNH2 

955 
NdNH 

2D 
number of dNH 

956 
NssNH 

2D 
number of ssNH 

957 
NaaNH 

2D 
number of aaNH 

958 
NtN 

2D 
number of tN 

959 
NsssNH 

2D 
number of sssNH 

960 
NdsN 

2D 
number of dsN 

961 
NaaN 

2D 
number of aaN 

962 
NsssN 

2D 
number of sssN 

963 
NddsN 

2D 
number of ddsN 

964 
NaasN 

2D 
number of aasN 

965 
NssssN 

2D 
number of ssssN 

966 
NsOH 

2D 
number of sOH 

967 
NdO 

2D 
number of dO 

968 
NssO 

2D 
number of ssO 

969 
NaaO 

2D 
number of aaO 

970 
NsF 

2D 
number of sF 

971 
NsSiH3 

2D 
number of sSiH3 

972 
NssSiH2 

2D 
number of ssSiH2 

973 
NsssSiH 

2D 
number of sssSiH 

974 
NssssSi 

2D 
number of ssssSi 

975 
NsPH2 

2D 
number of sPH2 

976 
NssPH 

2D 
number of ssPH 

977 
NsssP 

2D 
number of sssP 

978 
NdsssP 

2D 
number of dsssP 

979 
NsssssP 

2D 
number of sssssP 

980 
NsSH 

2D 
number of sSH 

981 
NdS 

2D 
number of dS 

982 
NssS 

2D 
number of ssS 

983 
NaaS 

2D 
number of aaS 

984 
NdssS 

2D 
number of dssS 

985 
NddssS 

2D 
number of ddssS 

986 
NsCl 

2D 
number of sCl 

987 
NsGeH3 

2D 
number of sGeH3 

988 
NssGeH2 

2D 
number of ssGeH2 

989 
NsssGeH 

2D 
number of sssGeH 

990 
NssssGe 

2D 
number of ssssGe 

991 
NsAsH2 

2D 
number of sAsH2 

992 
NssAsH 

2D 
number of ssAsH 

993 
NsssAs 

2D 
number of sssAs 

994 
NsssdAs 

2D 
number of sssdAs 

995 
NsssssAs 

2D 
number of sssssAs 

996 
NsSeH 

2D 
number of sSeH 

997 
NdSe 

2D 
number of dSe 

998 
NssSe 

2D 
number of ssSe 

999 
NaaSe 

2D 
number of aaSe 

1000 
NdssSe 

2D 
number of dssSe 

1001 
NddssSe 

2D 
number of ddssSe 

1002 
NsBr 

2D 
number of sBr 

1003 
NsSnH3 

2D 
number of sSnH3 

1004 
NssSnH2 

2D 
number of ssSnH2 

1005 
NsssSnH 

2D 
number of sssSnH 

1006 
NssssSn 

2D 
number of ssssSn 

1007 
NsI 

2D 
number of sI 

1008 
NsPbH3 

2D 
number of sPbH3 

1009 
NssPbH2 

2D 
number of ssPbH2 

1010 
NsssPbH 

2D 
number of sssPbH 

1011 
NssssPb 

2D 
number of ssssPb 

1012 
SsLi 

2D 
sum of sLi 

1013 
SssBe 

2D 
sum of ssBe 

1014 
SssssBe 

2D 
sum of ssssBe 

1015 
SssBH 

2D 
sum of ssBH 

1016 
SsssB 

2D 
sum of sssB 

1017 
SssssB 

2D 
sum of ssssB 

1018 
SsCH3 

2D 
sum of sCH3 

1019 
SdCH2 

2D 
sum of dCH2 

1020 
SssCH2 

2D 
sum of ssCH2 

1021 
StCH 

2D 
sum of tCH 

1022 
SdsCH 

2D 
sum of dsCH 

1023 
SaaCH 

2D 
sum of aaCH 

1024 
SsssCH 

2D 
sum of sssCH 

1025 
SddC 

2D 
sum of ddC 

1026 
StsC 

2D 
sum of tsC 

1027 
SdssC 

2D 
sum of dssC 

1028 
SaasC 

2D 
sum of aasC 

1029 
SaaaC 

2D 
sum of aaaC 

1030 
SssssC 

2D 
sum of ssssC 

1031 
SsNH3 

2D 
sum of sNH3 

1032 
SsNH2 

2D 
sum of sNH2 

1033 
SssNH2 

2D 
sum of ssNH2 

1034 
SdNH 

2D 
sum of dNH 

1035 
SssNH 

2D 
sum of ssNH 

1036 
SaaNH 

2D 
sum of aaNH 

1037 
StN 

2D 
sum of tN 

1038 
SsssNH 

2D 
sum of sssNH 

1039 
SdsN 

2D 
sum of dsN 

1040 
SaaN 

2D 
sum of aaN 

1041 
SsssN 

2D 
sum of sssN 

1042 
SddsN 

2D 
sum of ddsN 

1043 
SaasN 

2D 
sum of aasN 

1044 
SssssN 

2D 
sum of ssssN 

1045 
SsOH 

2D 
sum of sOH 

1046 
SdO 

2D 
sum of dO 

1047 
SssO 

2D 
sum of ssO 

1048 
SaaO 

2D 
sum of aaO 

1049 
SsF 

2D 
sum of sF 

1050 
SsSiH3 

2D 
sum of sSiH3 

1051 
SssSiH2 

2D 
sum of ssSiH2 

1052 
SsssSiH 

2D 
sum of sssSiH 

1053 
SssssSi 

2D 
sum of ssssSi 

1054 
SsPH2 

2D 
sum of sPH2 

1055 
SssPH 

2D 
sum of ssPH 

1056 
SsssP 

2D 
sum of sssP 

1057 
SdsssP 

2D 
sum of dsssP 

1058 
SsssssP 

2D 
sum of sssssP 

1059 
SsSH 

2D 
sum of sSH 

1060 
SdS 

2D 
sum of dS 

1061 
SssS 

2D 
sum of ssS 

1062 
SaaS 

2D 
sum of aaS 

1063 
SdssS 

2D 
sum of dssS 

1064 
SddssS 

2D 
sum of ddssS 

1065 
SsCl 

2D 
sum of sCl 

1066 
SsGeH3 

2D 
sum of sGeH3 

1067 
SssGeH2 

2D 
sum of ssGeH2 

1068 
SsssGeH 

2D 
sum of sssGeH 

1069 
SssssGe 

2D 
sum of ssssGe 

1070 
SsAsH2 

2D 
sum of sAsH2 

1071 
SssAsH 

2D 
sum of ssAsH 

1072 
SsssAs 

2D 
sum of sssAs 

1073 
SsssdAs 

2D 
sum of sssdAs 

1074 
SsssssAs 

2D 
sum of sssssAs 

1075 
SsSeH 

2D 
sum of sSeH 

1076 
SdSe 

2D 
sum of dSe 

1077 
SssSe 

2D 
sum of ssSe 

1078 
SaaSe 

2D 
sum of aaSe 

1079 
SdssSe 

2D 
sum of dssSe 

1080 
SddssSe 

2D 
sum of ddssSe 

1081 
SsBr 

2D 
sum of sBr 

1082 
SsSnH3 

2D 
sum of sSnH3 

1083 
SssSnH2 

2D 
sum of ssSnH2 

1084 
SsssSnH 

2D 
sum of sssSnH 

1085 
SssssSn 

2D 
sum of ssssSn 

1086 
SsI 

2D 
sum of sI 

1087 
SsPbH3 

2D 
sum of sPbH3 

1088 
SssPbH2 

2D 
sum of ssPbH2 

1089 
SsssPbH 

2D 
sum of sssPbH 

1090 
SssssPb 

2D 
sum of ssssPb 

1091 
MAXsLi 

2D 
max of sLi 

1092 
MAXssBe 

2D 
max of ssBe 

1093 
MAXssssBe 

2D 
max of ssssBe 

1094 
MAXssBH 

2D 
max of ssBH 

1095 
MAXsssB 

2D 
max of sssB 

1096 
MAXssssB 

2D 
max of ssssB 

1097 
MAXsCH3 

2D 
max of sCH3 

1098 
MAXdCH2 

2D 
max of dCH2 

1099 
MAXssCH2 

2D 
max of ssCH2 

1100 
MAXtCH 

2D 
max of tCH 

1101 
MAXdsCH 

2D 
max of dsCH 

1102 
MAXaaCH 

2D 
max of aaCH 

1103 
MAXsssCH 

2D 
max of sssCH 

1104 
MAXddC 

2D 
max of ddC 

1105 
MAXtsC 

2D 
max of tsC 

1106 
MAXdssC 

2D 
max of dssC 

1107 
MAXaasC 

2D 
max of aasC 

1108 
MAXaaaC 

2D 
max of aaaC 

1109 
MAXssssC 

2D 
max of ssssC 

1110 
MAXsNH3 

2D 
max of sNH3 

1111 
MAXsNH2 

2D 
max of sNH2 

1112 
MAXssNH2 

2D 
max of ssNH2 

1113 
MAXdNH 

2D 
max of dNH 

1114 
MAXssNH 

2D 
max of ssNH 

1115 
MAXaaNH 

2D 
max of aaNH 

1116 
MAXtN 

2D 
max of tN 

1117 
MAXsssNH 

2D 
max of sssNH 

1118 
MAXdsN 

2D 
max of dsN 

1119 
MAXaaN 

2D 
max of aaN 

1120 
MAXsssN 

2D 
max of sssN 

1121 
MAXddsN 

2D 
max of ddsN 

1122 
MAXaasN 

2D 
max of aasN 

1123 
MAXssssN 

2D 
max of ssssN 

1124 
MAXsOH 

2D 
max of sOH 

1125 
MAXdO 

2D 
max of dO 

1126 
MAXssO 

2D 
max of ssO 

1127 
MAXaaO 

2D 
max of aaO 

1128 
MAXsF 

2D 
max of sF 

1129 
MAXsSiH3 

2D 
max of sSiH3 

1130 
MAXssSiH2 

2D 
max of ssSiH2 

1131 
MAXsssSiH 

2D 
max of sssSiH 

1132 
MAXssssSi 

2D 
max of ssssSi 

1133 
MAXsPH2 

2D 
max of sPH2 

1134 
MAXssPH 

2D 
max of ssPH 

1135 
MAXsssP 

2D 
max of sssP 

1136 
MAXdsssP 

2D 
max of dsssP 

1137 
MAXsssssP 

2D 
max of sssssP 

1138 
MAXsSH 

2D 
max of sSH 

1139 
MAXdS 

2D 
max of dS 

1140 
MAXssS 

2D 
max of ssS 

1141 
MAXaaS 

2D 
max of aaS 

1142 
MAXdssS 

2D 
max of dssS 

1143 
MAXddssS 

2D 
max of ddssS 

1144 
MAXsCl 

2D 
max of sCl 

1145 
MAXsGeH3 

2D 
max of sGeH3 

1146 
MAXssGeH2 

2D 
max of ssGeH2 

1147 
MAXsssGeH 

2D 
max of sssGeH 

1148 
MAXssssGe 

2D 
max of ssssGe 

1149 
MAXsAsH2 

2D 
max of sAsH2 

1150 
MAXssAsH 

2D 
max of ssAsH 

1151 
MAXsssAs 

2D 
max of sssAs 

1152 
MAXsssdAs 

2D 
max of sssdAs 

1153 
MAXsssssAs 

2D 
max of sssssAs 

1154 
MAXsSeH 

2D 
max of sSeH 

1155 
MAXdSe 

2D 
max of dSe 

1156 
MAXssSe 

2D 
max of ssSe 

1157 
MAXaaSe 

2D 
max of aaSe 

1158 
MAXdssSe 

2D 
max of dssSe 

1159 
MAXddssSe 

2D 
max of ddssSe 

1160 
MAXsBr 

2D 
max of sBr 

1161 
MAXsSnH3 

2D 
max of sSnH3 

1162 
MAXssSnH2 

2D 
max of ssSnH2 

1163 
MAXsssSnH 

2D 
max of sssSnH 

1164 
MAXssssSn 

2D 
max of ssssSn 

1165 
MAXsI 

2D 
max of sI 

1166 
MAXsPbH3 

2D 
max of sPbH3 

1167 
MAXssPbH2 

2D 
max of ssPbH2 

1168 
MAXsssPbH 

2D 
max of sssPbH 

1169 
MAXssssPb 

2D 
max of ssssPb 

1170 
MINsLi 

2D 
min of sLi 

1171 
MINssBe 

2D 
min of ssBe 

1172 
MINssssBe 

2D 
min of ssssBe 

1173 
MINssBH 

2D 
min of ssBH 

1174 
MINsssB 

2D 
min of sssB 

1175 
MINssssB 

2D 
min of ssssB 

1176 
MINsCH3 

2D 
min of sCH3 

1177 
MINdCH2 

2D 
min of dCH2 

1178 
MINssCH2 

2D 
min of ssCH2 

1179 
MINtCH 

2D 
min of tCH 

1180 
MINdsCH 

2D 
min of dsCH 

1181 
MINaaCH 

2D 
min of aaCH 

1182 
MINsssCH 

2D 
min of sssCH 

1183 
MINddC 

2D 
min of ddC 

1184 
MINtsC 

2D 
min of tsC 

1185 
MINdssC 

2D 
min of dssC 

1186 
MINaasC 

2D 
min of aasC 

1187 
MINaaaC 

2D 
min of aaaC 

1188 
MINssssC 

2D 
min of ssssC 

1189 
MINsNH3 

2D 
min of sNH3 

1190 
MINsNH2 

2D 
min of sNH2 

1191 
MINssNH2 

2D 
min of ssNH2 

1192 
MINdNH 

2D 
min of dNH 

1193 
MINssNH 

2D 
min of ssNH 

1194 
MINaaNH 

2D 
min of aaNH 

1195 
MINtN 

2D 
min of tN 

1196 
MINsssNH 

2D 
min of sssNH 

1197 
MINdsN 

2D 
min of dsN 

1198 
MINaaN 

2D 
min of aaN 

1199 
MINsssN 

2D 
min of sssN 

1200 
MINddsN 

2D 
min of ddsN 

1201 
MINaasN 

2D 
min of aasN 

1202 
MINssssN 

2D 
min of ssssN 

1203 
MINsOH 

2D 
min of sOH 

1204 
MINdO 

2D 
min of dO 

1205 
MINssO 

2D 
min of ssO 

1206 
MINaaO 

2D 
min of aaO 

1207 
MINsF 

2D 
min of sF 

1208 
MINsSiH3 

2D 
min of sSiH3 

1209 
MINssSiH2 

2D 
min of ssSiH2 

1210 
MINsssSiH 

2D 
min of sssSiH 

1211 
MINssssSi 

2D 
min of ssssSi 

1212 
MINsPH2 

2D 
min of sPH2 

1213 
MINssPH 

2D 
min of ssPH 

1214 
MINsssP 

2D 
min of sssP 

1215 
MINdsssP 

2D 
min of dsssP 

1216 
MINsssssP 

2D 
min of sssssP 

1217 
MINsSH 

2D 
min of sSH 

1218 
MINdS 

2D 
min of dS 

1219 
MINssS 

2D 
min of ssS 

1220 
MINaaS 

2D 
min of aaS 

1221 
MINdssS 

2D 
min of dssS 

1222 
MINddssS 

2D 
min of ddssS 

1223 
MINsCl 

2D 
min of sCl 

1224 
MINsGeH3 

2D 
min of sGeH3 

1225 
MINssGeH2 

2D 
min of ssGeH2 

1226 
MINsssGeH 

2D 
min of sssGeH 

1227 
MINssssGe 

2D 
min of ssssGe 

1228 
MINsAsH2 

2D 
min of sAsH2 

1229 
MINssAsH 

2D 
min of ssAsH 

1230 
MINsssAs 

2D 
min of sssAs 

1231 
MINsssdAs 

2D 
min of sssdAs 

1232 
MINsssssAs 

2D 
min of sssssAs 

1233 
MINsSeH 

2D 
min of sSeH 

1234 
MINdSe 

2D 
min of dSe 

1235 
MINssSe 

2D 
min of ssSe 

1236 
MINaaSe 

2D 
min of aaSe 

1237 
MINdssSe 

2D 
min of dssSe 

1238 
MINddssSe 

2D 
min of ddssSe 

1239 
MINsBr 

2D 
min of sBr 

1240 
MINsSnH3 

2D 
min of sSnH3 

1241 
MINssSnH2 

2D 
min of ssSnH2 

1242 
MINsssSnH 

2D 
min of sssSnH 

1243 
MINssssSn 

2D 
min of ssssSn 

1244 
MINsI 

2D 
min of sI 

1245 
MINsPbH3 

2D 
min of sPbH3 

1246 
MINssPbH2 

2D 
min of ssPbH2 

1247 
MINsssPbH 

2D 
min of sssPbH 

1248 
MINssssPb 

2D 
min of ssssPb 

1249 
ECIndex 
2D 
eccentric connectivity index 

1250 
ETA_alpha 

2D 
ETA core count 

1251 
AETA_alpha 

2D 
averaged ETA core count 

1252 
ETA_shape_p 

2D 
ETA shape index (type: p) 

1253 
ETA_shape_y 

2D 
ETA shape index (type: y) 

1254 
ETA_shape_x 

2D 
ETA shape index (type: x) 

1255 
ETA_beta 

2D 
valence electron mobile count 

1256 
AETA_beta 

2D 
averaged valence electron mobile count 

1257 
ETA_beta_s 

2D 
sigma contribution to valence electron mobile count 

1258 
AETA_beta_s 

2D 
averaged sigma contribution to valence electron mobile count 

1259 
ETA_beta_ns 

2D 
nonsigma contribution to valence electron mobile count 

1260 
AETA_beta_ns 

2D 
averaged nonsigma contribution to valence electron mobile count 

1261 
ETA_beta_ns_d 

2D 
delta contribution to valence electron mobile count 

1262 
AETA_beta_ns_d 

2D 
averaged delta contribution to valence electron mobile count 

1263 
ETA_eta 

2D 
ETA composite index for reference graph 

1264 
AETA_eta 

2D 
averaged ETA composite index for reference graph 

1265 
ETA_eta_L 

2D 
local ETA composite index for reference graph 

1266 
AETA_eta_L 

2D 
averaged local ETA composite index for reference graph 

1267 
ETA_eta_R 

2D 
ETA composite index for reference graph 

1268 
AETA_eta_R 

2D 
averaged ETA composite index for reference graph 

1269 
ETA_eta_RL 

2D 
local ETA composite index for reference graph 

1270 
AETA_eta_RL 

2D 
averaged local ETA composite index for reference graph 

1271 
ETA_eta_F 

2D 
ETA functionality index 

1272 
AETA_eta_F 

2D 
averaged ETA functionality index 

1273 
ETA_eta_FL 

2D 
local ETA functionality index 

1274 
AETA_eta_FL 

2D 
averaged local ETA functionality index 

1275 
ETA_eta_B 

2D 
ETA branching index 

1276 
AETA_eta_B 

2D 
averaged ETA branching index 

1277 
ETA_eta_BR 

2D 
ETA branching index (use ring count) 

1278 
AETA_eta_BR 

2D 
averaged ETA branching index (use ring count) 

1279 
ETA_dAlpha_A 

2D 
ETA delta alpha (type: A) 

1280 
ETA_dAlpha_B 

2D 
ETA delta alpha (type: B) 

1281 
ETA_epsilon_1 

2D 
ETA epsilon (type: 1) 

1282 
ETA_epsilon_2 

2D 
ETA epsilon (type: 2) 

1283 
ETA_epsilon_3 

2D 
ETA epsilon (type: 3) 

1284 
ETA_epsilon_4 

2D 
ETA epsilon (type: 4) 

1285 
ETA_epsilon_5 

2D 
ETA epsilon (type: 5) 

1286 
ETA_dEpsilon_A 

2D 
ETA delta epsilon (type: A) 

1287 
ETA_dEpsilon_B 

2D 
ETA delta epsilon (type: B) 

1288 
ETA_dEpsilon_C 

2D 
ETA delta epsilon (type: C) 

1289 
ETA_dEpsilon_D 

2D 
ETA delta epsilon (type: D) 

1290 
ETA_dBeta 

2D 
ETA delta beta 

1291 
AETA_dBeta 

2D 
averaged ETA delta beta 

1292 
ETA_psi_1 

2D 
ETA psi 

1293 
ETA_dPsi_A 

2D 
ETA delta psi (type: A) 

1294 
ETA_dPsi_B 

2D 
ETA delta psi (type: B) 

1295 
fragCpx 
2D 
fragment complexity 

1296 
fMF 

2D 
molecular framework ratio 

1297 
GeomDiameter 

3D 
geometric diameter 

1298 
GeomRadius 

3D 
geometric radius 

1299 
GeomShapeIndex 
3D 
geometrical shape index 

1300 
GeomPetitjeanIndex 
3D 
geometric Petitjean index 

1301 
GRAV 

3D 
heavy atom gravitational index 

1302 
GRAVH 

3D 
gravitational index 

1303 
GRAVp 

3D 
heavy atom pair gravitational index 

1304 
GRAVHp 

3D 
pair gravitational index 

1305 
nHBAcc 
2D 
number of hydrogen bond acceptor 

1306 
nHBDon 

2D 
number of hydrogen bond donor 

1307 
IC0 
2D 
0ordered neighborhood information content 

1308 
IC1 
2D 
1ordered neighborhood information content 

1309 
IC2 
2D 
2ordered neighborhood information content 

1310 
IC3 
2D 
3ordered neighborhood information content 

1311 
IC4 
2D 
4ordered neighborhood information content 

1312 
IC5 
2D 
5ordered neighborhood information content 

1313 
TIC0 

2D 
0ordered neighborhood total information content 

1314 
TIC1 

2D 
1ordered neighborhood total information content 

1315 
TIC2 

2D 
2ordered neighborhood total information content 

1316 
TIC3 

2D 
3ordered neighborhood total information content 

1317 
TIC4 

2D 
4ordered neighborhood total information content 

1318 
TIC5 

2D 
5ordered neighborhood total information content 

1319 
SIC0 

2D 
0ordered structural information content 

1320 
SIC1 

2D 
1ordered structural information content 

1321 
SIC2 

2D 
2ordered structural information content 

1322 
SIC3 

2D 
3ordered structural information content 

1323 
SIC4 

2D 
4ordered structural information content 

1324 
SIC5 

2D 
5ordered structural information content 

1325 
BIC0 

2D 
0ordered bonding information content 

1326 
BIC1 

2D 
1ordered bonding information content 

1327 
BIC2 

2D 
2ordered bonding information content 

1328 
BIC3 

2D 
3ordered bonding information content 

1329 
BIC4 

2D 
4ordered bonding information content 

1330 
BIC5 

2D 
5ordered bonding information content 

1331 
CIC0 

2D 
0ordered complementary information content 

1332 
CIC1 

2D 
1ordered complementary information content 

1333 
CIC2 

2D 
2ordered complementary information content 

1334 
CIC3 

2D 
3ordered complementary information content 

1335 
CIC4 

2D 
4ordered complementary information content 

1336 
CIC5 

2D 
5ordered complementary information content 

1337 
MIC0 

2D 
0ordered modified information content 

1338 
MIC1 

2D 
1ordered modified information content 

1339 
MIC2 

2D 
2ordered modified information content 

1340 
MIC3 

2D 
3ordered modified information content 

1341 
MIC4 

2D 
4ordered modified information content 

1342 
MIC5 

2D 
5ordered modified information content 

1343 
ZMIC0 

2D 
0ordered Zmodified information content 

1344 
ZMIC1 

2D 
1ordered Zmodified information content 

1345 
ZMIC2 

2D 
2ordered Zmodified information content 

1346 
ZMIC3 

2D 
3ordered Zmodified information content 

1347 
ZMIC4 

2D 
4ordered Zmodified information content 

1348 
ZMIC5 

2D 
5ordered Zmodified information content 

1349 
Kier1 
2D 
kappa shape index 1 

1350 
Kier2 
2D 
kappa shape index 2 

1351 
Kier3 
2D 
kappa shape index 3 

1352 
Lipinski 

2D 
Lipinski rule of five 

1353 
GhoseFilter 

2D 
Ghose filter 

1354 
FilterItLogS 

2D 
Filterit™ LogS 

1355 
VMcGowan 
2D 
McGowan volume 

1356 
Mor01 

3D 
3DMoRSE (distance = 1) 

1357 
Mor02 

3D 
3DMoRSE (distance = 2) 

1358 
Mor03 

3D 
3DMoRSE (distance = 3) 

1359 
Mor04 

3D 
3DMoRSE (distance = 4) 

1360 
Mor05 

3D 
3DMoRSE (distance = 5) 

1361 
Mor06 

3D 
3DMoRSE (distance = 6) 

1362 
Mor07 

3D 
3DMoRSE (distance = 7) 

1363 
Mor08 

3D 
3DMoRSE (distance = 8) 

1364 
Mor09 

3D 
3DMoRSE (distance = 9) 

1365 
Mor10 

3D 
3DMoRSE (distance = 10) 

1366 
Mor11 

3D 
3DMoRSE (distance = 11) 

1367 
Mor12 

3D 
3DMoRSE (distance = 12) 

1368 
Mor13 

3D 
3DMoRSE (distance = 13) 

1369 
Mor14 

3D 
3DMoRSE (distance = 14) 

1370 
Mor15 

3D 
3DMoRSE (distance = 15) 

1371 
Mor16 

3D 
3DMoRSE (distance = 16) 

1372 
Mor17 

3D 
3DMoRSE (distance = 17) 

1373 
Mor18 

3D 
3DMoRSE (distance = 18) 

1374 
Mor19 

3D 
3DMoRSE (distance = 19) 

1375 
Mor20 

3D 
3DMoRSE (distance = 20) 

1376 
Mor21 

3D 
3DMoRSE (distance = 21) 

1377 
Mor22 

3D 
3DMoRSE (distance = 22) 

1378 
Mor23 

3D 
3DMoRSE (distance = 23) 

1379 
Mor24 

3D 
3DMoRSE (distance = 24) 

1380 
Mor25 

3D 
3DMoRSE (distance = 25) 

1381 
Mor26 

3D 
3DMoRSE (distance = 26) 

1382 
Mor27 

3D 
3DMoRSE (distance = 27) 

1383 
Mor28 

3D 
3DMoRSE (distance = 28) 

1384 
Mor29 

3D 
3DMoRSE (distance = 29) 

1385 
Mor30 

3D 
3DMoRSE (distance = 30) 

1386 
Mor31 

3D 
3DMoRSE (distance = 31) 

1387 
Mor32 

3D 
3DMoRSE (distance = 32) 

1388 
Mor01m 

3D 
3DMoRSE weighted by mass (distance = 1) 

1389 
Mor02m 

3D 
3DMoRSE weighted by mass (distance = 2) 

1390 
Mor03m 

3D 
3DMoRSE weighted by mass (distance = 3) 

1391 
Mor04m 

3D 
3DMoRSE weighted by mass (distance = 4) 

1392 
Mor05m 

3D 
3DMoRSE weighted by mass (distance = 5) 

1393 
Mor06m 

3D 
3DMoRSE weighted by mass (distance = 6) 

1394 
Mor07m 

3D 
3DMoRSE weighted by mass (distance = 7) 

1395 
Mor08m 

3D 
3DMoRSE weighted by mass (distance = 8) 

1396 
Mor09m 

3D 
3DMoRSE weighted by mass (distance = 9) 

1397 
Mor10m 

3D 
3DMoRSE weighted by mass (distance = 10) 

1398 
Mor11m 

3D 
3DMoRSE weighted by mass (distance = 11) 

1399 
Mor12m 

3D 
3DMoRSE weighted by mass (distance = 12) 

1400 
Mor13m 

3D 
3DMoRSE weighted by mass (distance = 13) 

1401 
Mor14m 

3D 
3DMoRSE weighted by mass (distance = 14) 

1402 
Mor15m 

3D 
3DMoRSE weighted by mass (distance = 15) 

1403 
Mor16m 

3D 
3DMoRSE weighted by mass (distance = 16) 

1404 
Mor17m 

3D 
3DMoRSE weighted by mass (distance = 17) 

1405 
Mor18m 

3D 
3DMoRSE weighted by mass (distance = 18) 

1406 
Mor19m 

3D 
3DMoRSE weighted by mass (distance = 19) 

1407 
Mor20m 

3D 
3DMoRSE weighted by mass (distance = 20) 

1408 
Mor21m 

3D 
3DMoRSE weighted by mass (distance = 21) 

1409 
Mor22m 

3D 
3DMoRSE weighted by mass (distance = 22) 

1410 
Mor23m 

3D 
3DMoRSE weighted by mass (distance = 23) 

1411 
Mor24m 

3D 
3DMoRSE weighted by mass (distance = 24) 

1412 
Mor25m 

3D 
3DMoRSE weighted by mass (distance = 25) 

1413 
Mor26m 

3D 
3DMoRSE weighted by mass (distance = 26) 

1414 
Mor27m 

3D 
3DMoRSE weighted by mass (distance = 27) 

1415 
Mor28m 

3D 
3DMoRSE weighted by mass (distance = 28) 

1416 
Mor29m 

3D 
3DMoRSE weighted by mass (distance = 29) 

1417 
Mor30m 

3D 
3DMoRSE weighted by mass (distance = 30) 

1418 
Mor31m 

3D 
3DMoRSE weighted by mass (distance = 31) 

1419 
Mor32m 

3D 
3DMoRSE weighted by mass (distance = 32) 

1420 
Mor01v 

3D 
3DMoRSE weighted by vdw volume (distance = 1) 

1421 
Mor02v 

3D 
3DMoRSE weighted by vdw volume (distance = 2) 

1422 
Mor03v 

3D 
3DMoRSE weighted by vdw volume (distance = 3) 

1423 
Mor04v 

3D 
3DMoRSE weighted by vdw volume (distance = 4) 

1424 
Mor05v 

3D 
3DMoRSE weighted by vdw volume (distance = 5) 

1425 
Mor06v 

3D 
3DMoRSE weighted by vdw volume (distance = 6) 

1426 
Mor07v 

3D 
3DMoRSE weighted by vdw volume (distance = 7) 

1427 
Mor08v 

3D 
3DMoRSE weighted by vdw volume (distance = 8) 

1428 
Mor09v 

3D 
3DMoRSE weighted by vdw volume (distance = 9) 

1429 
Mor10v 

3D 
3DMoRSE weighted by vdw volume (distance = 10) 

1430 
Mor11v 

3D 
3DMoRSE weighted by vdw volume (distance = 11) 

1431 
Mor12v 

3D 
3DMoRSE weighted by vdw volume (distance = 12) 

1432 
Mor13v 

3D 
3DMoRSE weighted by vdw volume (distance = 13) 

1433 
Mor14v 

3D 
3DMoRSE weighted by vdw volume (distance = 14) 

1434 
Mor15v 

3D 
3DMoRSE weighted by vdw volume (distance = 15) 

1435 
Mor16v 

3D 
3DMoRSE weighted by vdw volume (distance = 16) 

1436 
Mor17v 

3D 
3DMoRSE weighted by vdw volume (distance = 17) 

1437 
Mor18v 

3D 
3DMoRSE weighted by vdw volume (distance = 18) 

1438 
Mor19v 

3D 
3DMoRSE weighted by vdw volume (distance = 19) 

1439 
Mor20v 

3D 
3DMoRSE weighted by vdw volume (distance = 20) 

1440 
Mor21v 

3D 
3DMoRSE weighted by vdw volume (distance = 21) 

1441 
Mor22v 

3D 
3DMoRSE weighted by vdw volume (distance = 22) 

1442 
Mor23v 

3D 
3DMoRSE weighted by vdw volume (distance = 23) 

1443 
Mor24v 

3D 
3DMoRSE weighted by vdw volume (distance = 24) 

1444 
Mor25v 

3D 
3DMoRSE weighted by vdw volume (distance = 25) 

1445 
Mor26v 

3D 
3DMoRSE weighted by vdw volume (distance = 26) 

1446 
Mor27v 

3D 
3DMoRSE weighted by vdw volume (distance = 27) 

1447 
Mor28v 

3D 
3DMoRSE weighted by vdw volume (distance = 28) 

1448 
Mor29v 

3D 
3DMoRSE weighted by vdw volume (distance = 29) 

1449 
Mor30v 

3D 
3DMoRSE weighted by vdw volume (distance = 30) 

1450 
Mor31v 

3D 
3DMoRSE weighted by vdw volume (distance = 31) 

1451 
Mor32v 

3D 
3DMoRSE weighted by vdw volume (distance = 32) 

1452 
Mor01se 

3D 
3DMoRSE weighted by sanderson EN (distance = 1) 

1453 
Mor02se 

3D 
3DMoRSE weighted by sanderson EN (distance = 2) 

1454 
Mor03se 

3D 
3DMoRSE weighted by sanderson EN (distance = 3) 

1455 
Mor04se 

3D 
3DMoRSE weighted by sanderson EN (distance = 4) 

1456 
Mor05se 

3D 
3DMoRSE weighted by sanderson EN (distance = 5) 

1457 
Mor06se 

3D 
3DMoRSE weighted by sanderson EN (distance = 6) 

1458 
Mor07se 

3D 
3DMoRSE weighted by sanderson EN (distance = 7) 

1459 
Mor08se 

3D 
3DMoRSE weighted by sanderson EN (distance = 8) 

1460 
Mor09se 

3D 
3DMoRSE weighted by sanderson EN (distance = 9) 

1461 
Mor10se 

3D 
3DMoRSE weighted by sanderson EN (distance = 10) 

1462 
Mor11se 

3D 
3DMoRSE weighted by sanderson EN (distance = 11) 

1463 
Mor12se 

3D 
3DMoRSE weighted by sanderson EN (distance = 12) 

1464 
Mor13se 

3D 
3DMoRSE weighted by sanderson EN (distance = 13) 

1465 
Mor14se 

3D 
3DMoRSE weighted by sanderson EN (distance = 14) 

1466 
Mor15se 

3D 
3DMoRSE weighted by sanderson EN (distance = 15) 

1467 
Mor16se 

3D 
3DMoRSE weighted by sanderson EN (distance = 16) 

1468 
Mor17se 

3D 
3DMoRSE weighted by sanderson EN (distance = 17) 

1469 
Mor18se 

3D 
3DMoRSE weighted by sanderson EN (distance = 18) 

1470 
Mor19se 

3D 
3DMoRSE weighted by sanderson EN (distance = 19) 

1471 
Mor20se 

3D 
3DMoRSE weighted by sanderson EN (distance = 20) 

1472 
Mor21se 

3D 
3DMoRSE weighted by sanderson EN (distance = 21) 

1473 
Mor22se 

3D 
3DMoRSE weighted by sanderson EN (distance = 22) 

1474 
Mor23se 

3D 
3DMoRSE weighted by sanderson EN (distance = 23) 

1475 
Mor24se 

3D 
3DMoRSE weighted by sanderson EN (distance = 24) 

1476 
Mor25se 

3D 
3DMoRSE weighted by sanderson EN (distance = 25) 

1477 
Mor26se 

3D 
3DMoRSE weighted by sanderson EN (distance = 26) 

1478 
Mor27se 

3D 
3DMoRSE weighted by sanderson EN (distance = 27) 

1479 
Mor28se 

3D 
3DMoRSE weighted by sanderson EN (distance = 28) 

1480 
Mor29se 

3D 
3DMoRSE weighted by sanderson EN (distance = 29) 

1481 
Mor30se 

3D 
3DMoRSE weighted by sanderson EN (distance = 30) 

1482 
Mor31se 

3D 
3DMoRSE weighted by sanderson EN (distance = 31) 

1483 
Mor32se 

3D 
3DMoRSE weighted by sanderson EN (distance = 32) 

1484 
Mor01p 

3D 
3DMoRSE weighted by polarizability (distance = 1) 

1485 
Mor02p 

3D 
3DMoRSE weighted by polarizability (distance = 2) 

1486 
Mor03p 

3D 
3DMoRSE weighted by polarizability (distance = 3) 

1487 
Mor04p 

3D 
3DMoRSE weighted by polarizability (distance = 4) 

1488 
Mor05p 

3D 
3DMoRSE weighted by polarizability (distance = 5) 

1489 
Mor06p 

3D 
3DMoRSE weighted by polarizability (distance = 6) 

1490 
Mor07p 

3D 
3DMoRSE weighted by polarizability (distance = 7) 

1491 
Mor08p 

3D 
3DMoRSE weighted by polarizability (distance = 8) 

1492 
Mor09p 

3D 
3DMoRSE weighted by polarizability (distance = 9) 

1493 
Mor10p 

3D 
3DMoRSE weighted by polarizability (distance = 10) 

1494 
Mor11p 

3D 
3DMoRSE weighted by polarizability (distance = 11) 

1495 
Mor12p 

3D 
3DMoRSE weighted by polarizability (distance = 12) 

1496 
Mor13p 

3D 
3DMoRSE weighted by polarizability (distance = 13) 

1497 
Mor14p 

3D 
3DMoRSE weighted by polarizability (distance = 14) 

1498 
Mor15p 

3D 
3DMoRSE weighted by polarizability (distance = 15) 

1499 
Mor16p 

3D 
3DMoRSE weighted by polarizability (distance = 16) 

1500 
Mor17p 

3D 
3DMoRSE weighted by polarizability (distance = 17) 

1501 
Mor18p 

3D 
3DMoRSE weighted by polarizability (distance = 18) 

1502 
Mor19p 

3D 
3DMoRSE weighted by polarizability (distance = 19) 

1503 
Mor20p 

3D 
3DMoRSE weighted by polarizability (distance = 20) 

1504 
Mor21p 

3D 
3DMoRSE weighted by polarizability (distance = 21) 

1505 
Mor22p 

3D 
3DMoRSE weighted by polarizability (distance = 22) 

1506 
Mor23p 

3D 
3DMoRSE weighted by polarizability (distance = 23) 

1507 
Mor24p 

3D 
3DMoRSE weighted by polarizability (distance = 24) 

1508 
Mor25p 

3D 
3DMoRSE weighted by polarizability (distance = 25) 

1509 
Mor26p 

3D 
3DMoRSE weighted by polarizability (distance = 26) 

1510 
Mor27p 

3D 
3DMoRSE weighted by polarizability (distance = 27) 

1511 
Mor28p 

3D 
3DMoRSE weighted by polarizability (distance = 28) 

1512 
Mor29p 

3D 
3DMoRSE weighted by polarizability (distance = 29) 

1513 
Mor30p 

3D 
3DMoRSE weighted by polarizability (distance = 30) 

1514 
Mor31p 

3D 
3DMoRSE weighted by polarizability (distance = 31) 

1515 
Mor32p 

3D 
3DMoRSE weighted by polarizability (distance = 32) 

1516 
LabuteASA 

2D 
Labute’s Approximate Surface Area 

1517 
PEOE_VSA1 

2D 
MOE Charge VSA Descriptor 1 (inf < x < 0.30) 

1518 
PEOE_VSA2 

2D 
MOE Charge VSA Descriptor 2 (0.30 <= x < 0.25) 

1519 
PEOE_VSA3 

2D 
MOE Charge VSA Descriptor 3 (0.25 <= x < 0.20) 

1520 
PEOE_VSA4 

2D 
MOE Charge VSA Descriptor 4 (0.20 <= x < 0.15) 

1521 
PEOE_VSA5 

2D 
MOE Charge VSA Descriptor 5 (0.15 <= x < 0.10) 

1522 
PEOE_VSA6 

2D 
MOE Charge VSA Descriptor 6 (0.10 <= x < 0.05) 

1523 
PEOE_VSA7 

2D 
MOE Charge VSA Descriptor 7 (0.05 <= x < 0.00) 

1524 
PEOE_VSA8 

2D 
MOE Charge VSA Descriptor 8 ( 0.00 <= x < 0.05) 

1525 
PEOE_VSA9 

2D 
MOE Charge VSA Descriptor 9 ( 0.05 <= x < 0.10) 

1526 
PEOE_VSA10 

2D 
MOE Charge VSA Descriptor 10 ( 0.10 <= x < 0.15) 

1527 
PEOE_VSA11 

2D 
MOE Charge VSA Descriptor 11 ( 0.15 <= x < 0.20) 

1528 
PEOE_VSA12 

2D 
MOE Charge VSA Descriptor 12 ( 0.20 <= x < 0.25) 

1529 
PEOE_VSA13 

2D 
MOE Charge VSA Descriptor 13 ( 0.25 <= x < 0.30) 

1530 
SMR_VSA1 

2D 
MOE MR VSA Descriptor 1 (inf < x < 1.29) 

1531 
SMR_VSA2 

2D 
MOE MR VSA Descriptor 2 ( 1.29 <= x < 1.82) 

1532 
SMR_VSA3 

2D 
MOE MR VSA Descriptor 3 ( 1.82 <= x < 2.24) 

1533 
SMR_VSA4 

2D 
MOE MR VSA Descriptor 4 ( 2.24 <= x < 2.45) 

1534 
SMR_VSA5 

2D 
MOE MR VSA Descriptor 5 ( 2.45 <= x < 2.75) 

1535 
SMR_VSA6 

2D 
MOE MR VSA Descriptor 6 ( 2.75 <= x < 3.05) 

1536 
SMR_VSA7 

2D 
MOE MR VSA Descriptor 7 ( 3.05 <= x < 3.63) 

1537 
SMR_VSA8 

2D 
MOE MR VSA Descriptor 8 ( 3.63 <= x < 3.80) 

1538 
SMR_VSA9 

2D 
MOE MR VSA Descriptor 9 ( 3.80 <= x < 4.00) 

1539 
SlogP_VSA1 

2D 
MOE logP VSA Descriptor 1 (inf < x < 0.40) 

1540 
SlogP_VSA2 

2D 
MOE logP VSA Descriptor 2 (0.40 <= x < 0.20) 

1541 
SlogP_VSA3 

2D 
MOE logP VSA Descriptor 3 (0.20 <= x < 0.00) 

1542 
SlogP_VSA4 

2D 
MOE logP VSA Descriptor 4 ( 0.00 <= x < 0.10) 

1543 
SlogP_VSA5 

2D 
MOE logP VSA Descriptor 5 ( 0.10 <= x < 0.15) 

1544 
SlogP_VSA6 

2D 
MOE logP VSA Descriptor 6 ( 0.15 <= x < 0.20) 

1545 
SlogP_VSA7 

2D 
MOE logP VSA Descriptor 7 ( 0.20 <= x < 0.25) 

1546 
SlogP_VSA8 

2D 
MOE logP VSA Descriptor 8 ( 0.25 <= x < 0.30) 

1547 
SlogP_VSA9 

2D 
MOE logP VSA Descriptor 9 ( 0.30 <= x < 0.40) 

1548 
SlogP_VSA10 

2D 
MOE logP VSA Descriptor 10 ( 0.40 <= x < 0.50) 

1549 
SlogP_VSA11 

2D 
MOE logP VSA Descriptor 11 ( 0.50 <= x < 0.60) 

1550 
EState_VSA1 

2D 
EState VSA Descriptor 1 (inf < x < 0.39) 

1551 
EState_VSA2 

2D 
EState VSA Descriptor 2 ( 0.39 <= x < 0.29) 

1552 
EState_VSA3 

2D 
EState VSA Descriptor 3 ( 0.29 <= x < 0.72) 

1553 
EState_VSA4 

2D 
EState VSA Descriptor 4 ( 0.72 <= x < 1.17) 

1554 
EState_VSA5 

2D 
EState VSA Descriptor 5 ( 1.17 <= x < 1.54) 

1555 
EState_VSA6 

2D 
EState VSA Descriptor 6 ( 1.54 <= x < 1.81) 

1556 
EState_VSA7 

2D 
EState VSA Descriptor 7 ( 1.81 <= x < 2.05) 

1557 
EState_VSA8 

2D 
EState VSA Descriptor 8 ( 2.05 <= x < 4.69) 

1558 
EState_VSA9 

2D 
EState VSA Descriptor 9 ( 4.69 <= x < 9.17) 

1559 
EState_VSA10 

2D 
EState VSA Descriptor 10 ( 9.17 <= x < 15.00) 

1560 
VSA_EState1 

2D 
VSA EState Descriptor 1 (inf < x < 4.78) 

1561 
VSA_EState2 

2D 
VSA EState Descriptor 2 ( 4.78 <= x < 5.00) 

1562 
VSA_EState3 

2D 
VSA EState Descriptor 3 ( 5.00 <= x < 5.41) 

1563 
VSA_EState4 

2D 
VSA EState Descriptor 4 ( 5.41 <= x < 5.74) 

1564 
VSA_EState5 

2D 
VSA EState Descriptor 5 ( 5.74 <= x < 6.00) 

1565 
VSA_EState6 

2D 
VSA EState Descriptor 6 ( 6.00 <= x < 6.07) 

1566 
VSA_EState7 

2D 
VSA EState Descriptor 7 ( 6.07 <= x < 6.45) 

1567 
VSA_EState8 

2D 
VSA EState Descriptor 8 ( 6.45 <= x < 7.00) 

1568 
VSA_EState9 

2D 
VSA EState Descriptor 9 ( 7.00 <= x < 11.00) 

1569 
MDEC11 

2D 
molecular distance edge between primary C and primary C 

1570 
MDEC12 

2D 
molecular distance edge between primary C and secondary C 

1571 
MDEC13 

2D 
molecular distance edge between primary C and tertiary C 

1572 
MDEC14 

2D 
molecular distance edge between primary C and quaternary C 

1573 
MDEC22 

2D 
molecular distance edge between secondary C and secondary C 

1574 
MDEC23 

2D 
molecular distance edge between secondary C and tertiary C 

1575 
MDEC24 

2D 
molecular distance edge between secondary C and quaternary C 

1576 
MDEC33 

2D 
molecular distance edge between tertiary C and tertiary C 

1577 
MDEC34 

2D 
molecular distance edge between tertiary C and quaternary C 

1578 
MDEC44 

2D 
molecular distance edge between quaternary C and quaternary C 

1579 
MDEO11 

2D 
molecular distance edge between primary O and primary O 

1580 
MDEO12 

2D 
molecular distance edge between primary O and secondary O 

1581 
MDEO22 

2D 
molecular distance edge between secondary O and secondary O 

1582 
MDEN11 

2D 
molecular distance edge between primary N and primary N 

1583 
MDEN12 

2D 
molecular distance edge between primary N and secondary N 

1584 
MDEN13 

2D 
molecular distance edge between primary N and tertiary N 

1585 
MDEN22 

2D 
molecular distance edge between secondary N and secondary N 

1586 
MDEN23 

2D 
molecular distance edge between secondary N and tertiary N 

1587 
MDEN33 

2D 
molecular distance edge between tertiary N and tertiary N 

1588 
MID 

2D 
molecular ID 

1589 
AMID 

2D 
averaged molecular ID 

1590 
MID_h 

2D 
molecular ID on h atoms 

1591 
AMID_h 

2D 
averaged molecular ID on h atoms 

1592 
MID_C 

2D 
molecular ID on C atoms 

1593 
AMID_C 

2D 
averaged molecular ID on C atoms 

1594 
MID_N 

2D 
molecular ID on N atoms 

1595 
AMID_N 

2D 
averaged molecular ID on N atoms 

1596 
MID_O 

2D 
molecular ID on O atoms 

1597 
AMID_O 

2D 
averaged molecular ID on O atoms 

1598 
MID_X 

2D 
molecular ID on halogen atoms 

1599 
AMID_X 

2D 
averaged molecular ID on halogen atoms 

1600 
MOMIX 

3D 
moment of inertia (axis = X) 

1601 
MOMIY 

3D 
moment of inertia (axis = Y) 

1602 
MOMIZ 

3D 
moment of inertia (axis = Z) 

1603 
PBF 

3D 
PBF 

1604 
MPC2 

2D 
2ordered path count 

1605 
MPC3 

2D 
3ordered path count 

1606 
MPC4 

2D 
4ordered path count 

1607 
MPC5 

2D 
5ordered path count 

1608 
MPC6 

2D 
6ordered path count 

1609 
MPC7 

2D 
7ordered path count 

1610 
MPC8 

2D 
8ordered path count 

1611 
MPC9 

2D 
9ordered path count 

1612 
MPC10 

2D 
10ordered path count 

1613 
TMPC10 

2D 
10ordered total path count 

1614 
piPC1 

2D 
1ordered pipath count (log scale) 

1615 
piPC2 

2D 
2ordered pipath count (log scale) 

1616 
piPC3 

2D 
3ordered pipath count (log scale) 

1617 
piPC4 

2D 
4ordered pipath count (log scale) 

1618 
piPC5 

2D 
5ordered pipath count (log scale) 

1619 
piPC6 

2D 
6ordered pipath count (log scale) 

1620 
piPC7 

2D 
7ordered pipath count (log scale) 

1621 
piPC8 

2D 
8ordered pipath count (log scale) 

1622 
piPC9 

2D 
9ordered pipath count (log scale) 

1623 
piPC10 

2D 
10ordered pipath count (log scale) 

1624 
TpiPC10 

2D 
10ordered total pipath count (log scale) 

1625 
apol 

2D 
atomic polarizability 

1626 
bpol 

2D 
bond polarizability 

1627 
nRing 

2D 
ring count 

1628 
n3Ring 

2D 
3membered ring count 

1629 
n4Ring 

2D 
4membered ring count 

1630 
n5Ring 

2D 
5membered ring count 

1631 
n6Ring 

2D 
6membered ring count 

1632 
n7Ring 

2D 
7membered ring count 

1633 
n8Ring 

2D 
8membered ring count 

1634 
n9Ring 

2D 
9membered ring count 

1635 
n10Ring 

2D 
10membered ring count 

1636 
n11Ring 

2D 
11membered ring count 

1637 
n12Ring 

2D 
12membered ring count 

1638 
nG12Ring 

2D 
12orgreatermembered ring count 

1639 
nHRing 

2D 
hetero ring count 

1640 
n3HRing 

2D 
3membered hetero ring count 

1641 
n4HRing 

2D 
4membered hetero ring count 

1642 
n5HRing 

2D 
5membered hetero ring count 

1643 
n6HRing 

2D 
6membered hetero ring count 

1644 
n7HRing 

2D 
7membered hetero ring count 

1645 
n8HRing 

2D 
8membered hetero ring count 

1646 
n9HRing 

2D 
9membered hetero ring count 

1647 
n10HRing 

2D 
10membered hetero ring count 

1648 
n11HRing 

2D 
11membered hetero ring count 

1649 
n12HRing 

2D 
12membered hetero ring count 

1650 
nG12HRing 

2D 
12orgreatermembered hetero ring count 

1651 
naRing 

2D 
aromatic ring count 

1652 
n3aRing 

2D 
3membered aromatic ring count 

1653 
n4aRing 

2D 
4membered aromatic ring count 

1654 
n5aRing 

2D 
5membered aromatic ring count 

1655 
n6aRing 

2D 
6membered aromatic ring count 

1656 
n7aRing 

2D 
7membered aromatic ring count 

1657 
n8aRing 

2D 
8membered aromatic ring count 

1658 
n9aRing 

2D 
9membered aromatic ring count 

1659 
n10aRing 

2D 
10membered aromatic ring count 

1660 
n11aRing 

2D 
11membered aromatic ring count 

1661 
n12aRing 

2D 
12membered aromatic ring count 

1662 
nG12aRing 

2D 
12orgreatermembered aromatic ring count 

1663 
naHRing 

2D 
aromatic hetero ring count 

1664 
n3aHRing 

2D 
3membered aromatic hetero ring count 

1665 
n4aHRing 

2D 
4membered aromatic hetero ring count 

1666 
n5aHRing 

2D 
5membered aromatic hetero ring count 

1667 
n6aHRing 

2D 
6membered aromatic hetero ring count 

1668 
n7aHRing 

2D 
7membered aromatic hetero ring count 

1669 
n8aHRing 

2D 
8membered aromatic hetero ring count 

1670 
n9aHRing 

2D 
9membered aromatic hetero ring count 

1671 
n10aHRing 

2D 
10membered aromatic hetero ring count 

1672 
n11aHRing 

2D 
11membered aromatic hetero ring count 

1673 
n12aHRing 

2D 
12membered aromatic hetero ring count 

1674 
nG12aHRing 

2D 
12orgreatermembered aromatic hetero ring count 

1675 
nARing 

2D 
aliphatic ring count 

1676 
n3ARing 

2D 
3membered aliphatic ring count 

1677 
n4ARing 

2D 
4membered aliphatic ring count 

1678 
n5ARing 

2D 
5membered aliphatic ring count 

1679 
n6ARing 

2D 
6membered aliphatic ring count 

1680 
n7ARing 

2D 
7membered aliphatic ring count 

1681 
n8ARing 

2D 
8membered aliphatic ring count 

1682 
n9ARing 

2D 
9membered aliphatic ring count 

1683 
n10ARing 

2D 
10membered aliphatic ring count 

1684 
n11ARing 

2D 
11membered aliphatic ring count 

1685 
n12ARing 

2D 
12membered aliphatic ring count 

1686 
nG12ARing 

2D 
12orgreatermembered aliphatic ring count 

1687 
nAHRing 

2D 
aliphatic hetero ring count 

1688 
n3AHRing 

2D 
3membered aliphatic hetero ring count 

1689 
n4AHRing 

2D 
4membered aliphatic hetero ring count 

1690 
n5AHRing 

2D 
5membered aliphatic hetero ring count 

1691 
n6AHRing 

2D 
6membered aliphatic hetero ring count 

1692 
n7AHRing 

2D 
7membered aliphatic hetero ring count 

1693 
n8AHRing 

2D 
8membered aliphatic hetero ring count 

1694 
n9AHRing 

2D 
9membered aliphatic hetero ring count 

1695 
n10AHRing 

2D 
10membered aliphatic hetero ring count 

1696 
n11AHRing 

2D 
11membered aliphatic hetero ring count 

1697 
n12AHRing 

2D 
12membered aliphatic hetero ring count 

1698 
nG12AHRing 

2D 
12orgreatermembered aliphatic hetero ring count 

1699 
nFRing 

2D 
fused ring count 

1700 
n4FRing 

2D 
4membered fused ring count 

1701 
n5FRing 

2D 
5membered fused ring count 

1702 
n6FRing 

2D 
6membered fused ring count 

1703 
n7FRing 

2D 
7membered fused ring count 

1704 
n8FRing 

2D 
8membered fused ring count 

1705 
n9FRing 

2D 
9membered fused ring count 

1706 
n10FRing 

2D 
10membered fused ring count 

1707 
n11FRing 

2D 
11membered fused ring count 

1708 
n12FRing 

2D 
12membered fused ring count 

1709 
nG12FRing 

2D 
12orgreatermembered fused ring count 

1710 
nFHRing 

2D 
fused hetero ring count 

1711 
n4FHRing 

2D 
4membered fused hetero ring count 

1712 
n5FHRing 

2D 
5membered fused hetero ring count 

1713 
n6FHRing 

2D 
6membered fused hetero ring count 

1714 
n7FHRing 

2D 
7membered fused hetero ring count 

1715 
n8FHRing 

2D 
8membered fused hetero ring count 

1716 
n9FHRing 

2D 
9membered fused hetero ring count 

1717 
n10FHRing 

2D 
10membered fused hetero ring count 

1718 
n11FHRing 

2D 
11membered fused hetero ring count 

1719 
n12FHRing 

2D 
12membered fused hetero ring count 

1720 
nG12FHRing 

2D 
12orgreatermembered fused hetero ring count 

1721 
nFaRing 

2D 
aromatic fused ring count 

1722 
n4FaRing 

2D 
4membered aromatic fused ring count 

1723 
n5FaRing 

2D 
5membered aromatic fused ring count 

1724 
n6FaRing 

2D 
6membered aromatic fused ring count 

1725 
n7FaRing 

2D 
7membered aromatic fused ring count 

1726 
n8FaRing 

2D 
8membered aromatic fused ring count 

1727 
n9FaRing 

2D 
9membered aromatic fused ring count 

1728 
n10FaRing 

2D 
10membered aromatic fused ring count 

1729 
n11FaRing 

2D 
11membered aromatic fused ring count 

1730 
n12FaRing 

2D 
12membered aromatic fused ring count 

1731 
nG12FaRing 

2D 
12orgreatermembered aromatic fused ring count 

1732 
nFaHRing 

2D 
aromatic fused hetero ring count 

1733 
n4FaHRing 

2D 
4membered aromatic fused hetero ring count 

1734 
n5FaHRing 

2D 
5membered aromatic fused hetero ring count 

1735 
n6FaHRing 

2D 
6membered aromatic fused hetero ring count 

1736 
n7FaHRing 

2D 
7membered aromatic fused hetero ring count 

1737 
n8FaHRing 

2D 
8membered aromatic fused hetero ring count 

1738 
n9FaHRing 

2D 
9membered aromatic fused hetero ring count 

1739 
n10FaHRing 

2D 
10membered aromatic fused hetero ring count 

1740 
n11FaHRing 

2D 
11membered aromatic fused hetero ring count 

1741 
n12FaHRing 

2D 
12membered aromatic fused hetero ring count 

1742 
nG12FaHRing 

2D 
12orgreatermembered aromatic fused hetero ring count 

1743 
nFARing 

2D 
aliphatic fused ring count 

1744 
n4FARing 

2D 
4membered aliphatic fused ring count 

1745 
n5FARing 

2D 
5membered aliphatic fused ring count 

1746 
n6FARing 

2D 
6membered aliphatic fused ring count 

1747 
n7FARing 

2D 
7membered aliphatic fused ring count 

1748 
n8FARing 

2D 
8membered aliphatic fused ring count 

1749 
n9FARing 

2D 
9membered aliphatic fused ring count 

1750 
n10FARing 

2D 
10membered aliphatic fused ring count 

1751 
n11FARing 

2D 
11membered aliphatic fused ring count 

1752 
n12FARing 

2D 
12membered aliphatic fused ring count 

1753 
nG12FARing 

2D 
12orgreatermembered aliphatic fused ring count 

1754 
nFAHRing 

2D 
aliphatic fused hetero ring count 

1755 
n4FAHRing 

2D 
4membered aliphatic fused hetero ring count 

1756 
n5FAHRing 

2D 
5membered aliphatic fused hetero ring count 

1757 
n6FAHRing 

2D 
6membered aliphatic fused hetero ring count 

1758 
n7FAHRing 

2D 
7membered aliphatic fused hetero ring count 

1759 
n8FAHRing 

2D 
8membered aliphatic fused hetero ring count 

1760 
n9FAHRing 

2D 
9membered aliphatic fused hetero ring count 

1761 
n10FAHRing 

2D 
10membered aliphatic fused hetero ring count 

1762 
n11FAHRing 

2D 
11membered aliphatic fused hetero ring count 

1763 
n12FAHRing 

2D 
12membered aliphatic fused hetero ring count 

1764 
nG12FAHRing 

2D 
12orgreatermembered aliphatic fused hetero ring count 

1765 
nRot 
2D 
rotatable bonds count 

1766 
RotRatio 
2D 
rotatable bonds ratio 

1767 
SLogP 

2D 
WildmanCrippen LogP 

1768 
SMR 

2D 
WildmanCrippen MR 

1769 
TopoPSA(NO) 

2D 
topological polar surface area (use only nitrogen and oxygen) 

1770 
TopoPSA 

2D 
topological polar surface area 

1771 
GGI1 

2D 
1ordered raw topological charge 

1772 
GGI2 

2D 
2ordered raw topological charge 

1773 
GGI3 

2D 
3ordered raw topological charge 

1774 
GGI4 

2D 
4ordered raw topological charge 

1775 
GGI5 

2D 
5ordered raw topological charge 

1776 
GGI6 

2D 
6ordered raw topological charge 

1777 
GGI7 

2D 
7ordered raw topological charge 

1778 
GGI8 

2D 
8ordered raw topological charge 

1779 
GGI9 

2D 
9ordered raw topological charge 

1780 
GGI10 

2D 
10ordered raw topological charge 

1781 
JGI1 

2D 
1ordered mean topological charge 

1782 
JGI2 

2D 
2ordered mean topological charge 

1783 
JGI3 

2D 
3ordered mean topological charge 

1784 
JGI4 

2D 
4ordered mean topological charge 

1785 
JGI5 

2D 
5ordered mean topological charge 

1786 
JGI6 

2D 
6ordered mean topological charge 

1787 
JGI7 

2D 
7ordered mean topological charge 

1788 
JGI8 

2D 
8ordered mean topological charge 

1789 
JGI9 

2D 
9ordered mean topological charge 

1790 
JGI10 

2D 
10ordered mean topological charge 

1791 
JGT10 

2D 
10ordered global topological charge 

1792 
Diameter 

2D 
topological diameter 

1793 
Radius 

2D 
topological radius 

1794 
TopoShapeIndex 
2D 
topological shape index 

1795 
PetitjeanIndex 
2D 
Petitjean index 

1796 
Vabc 

2D 
ABC van der waals volume 

1797 
VAdjMat 
2D 
vertex adjacency information 

1798 
MWC01 

2D 
walk count (leg1) 

1799 
MWC02 

2D 
walk count (leg2) 

1800 
MWC03 

2D 
walk count (leg3) 

1801 
MWC04 

2D 
walk count (leg4) 

1802 
MWC05 

2D 
walk count (leg5) 

1803 
MWC06 

2D 
walk count (leg6) 

1804 
MWC07 

2D 
walk count (leg7) 

1805 
MWC08 

2D 
walk count (leg8) 

1806 
MWC09 

2D 
walk count (leg9) 

1807 
MWC10 

2D 
walk count (leg10) 

1808 
TMWC10 

2D 
total walk count (leg10) 

1809 
SRW02 

2D 
walk count (leg2, only self returning walk) 

1810 
SRW03 

2D 
walk count (leg3, only self returning walk) 

1811 
SRW04 

2D 
walk count (leg4, only self returning walk) 

1812 
SRW05 

2D 
walk count (leg5, only self returning walk) 

1813 
SRW06 

2D 
walk count (leg6, only self returning walk) 

1814 
SRW07 

2D 
walk count (leg7, only self returning walk) 

1815 
SRW08 

2D 
walk count (leg8, only self returning walk) 

1816 
SRW09 

2D 
walk count (leg9, only self returning walk) 

1817 
SRW10 

2D 
walk count (leg10, only self returning walk) 

1818 
TSRW10 

2D 
total walk count (leg10, only self returning walk) 

1819 
MW 

2D 
exact molecular weight 

1820 
AMW 

2D 
averaged exact molecular weight 

1821 
WPath 

2D 
Wiener index 

1822 
WPol 

2D 
Wiener polarity index 

1823 
Zagreb1 

2D 
Zagreb index (version 1) 

1824 
Zagreb2 

2D 
Zagreb index (version 2) 

1825 
mZagreb1 

2D 
modified Zagreb index (version 1) 

1826 
mZagreb2 

2D 
modified Zagreb index (version 2) 