Descriptor List

preset descriptors

calc = Calculator(descriptors)
Descriptor list
# module name constructor dim
1 ABCIndex ABC ABCIndex () 2D
2   ABCGG ABCGGIndex () 2D
3 AcidBase nAcid AcidicGroupCount () 2D
4   nBase BasicGroupCount () 2D
5 AdjacencyMatrix SpAbs_A AdjacencyMatrix (‘SpAbs’) 2D
6   SpMax_A AdjacencyMatrix (‘SpMax’) 2D
7   SpDiam_A AdjacencyMatrix (‘SpDiam’) 2D
8   SpAD_A AdjacencyMatrix (‘SpAD’) 2D
9   SpMAD_A AdjacencyMatrix (‘SpMAD’) 2D
10   LogEE_A AdjacencyMatrix (‘LogEE’) 2D
11   SM1_A AdjacencyMatrix (‘SM1’) 2D
12   VE1_A AdjacencyMatrix (‘VE1’) 2D
13   VE2_A AdjacencyMatrix (‘VE2’) 2D
14   VE3_A AdjacencyMatrix (‘VE3’) 2D
15   VR1_A AdjacencyMatrix (‘VR1’) 2D
16   VR2_A AdjacencyMatrix (‘VR2’) 2D
17   VR3_A AdjacencyMatrix (‘VR3’) 2D
18 Aromatic nAromAtom AromaticAtomsCount () 2D
19   nAromBond AromaticBondsCount () 2D
20 AtomCount nAtom AtomCount (‘Atom’) 2D
21   nHeavyAtom AtomCount (‘HeavyAtom’) 2D
22   nSpiro AtomCount (‘Spiro’) 2D
23   nBridgehead AtomCount (‘Bridgehead’) 2D
24   nH AtomCount (‘H’) 2D
25   nB AtomCount (‘B’) 2D
26   nC AtomCount (‘C’) 2D
27   nN AtomCount (‘N’) 2D
28   nO AtomCount (‘O’) 2D
29   nS AtomCount (‘S’) 2D
30   nP AtomCount (‘P’) 2D
31   nF AtomCount (‘F’) 2D
32   nCl AtomCount (‘Cl’) 2D
33   nBr AtomCount (‘Br’) 2D
34   nI AtomCount (‘I’) 2D
35   nX AtomCount (‘X’) 2D
36 Autocorrelation ATS0pe ATS (0, ‘pe’) 2D
37   ATS1pe ATS (1, ‘pe’) 2D
38   ATS2pe ATS (2, ‘pe’) 2D
39   ATS3pe ATS (3, ‘pe’) 2D
40   ATS4pe ATS (4, ‘pe’) 2D
41   ATS5pe ATS (5, ‘pe’) 2D
42   ATS6pe ATS (6, ‘pe’) 2D
43   ATS7pe ATS (7, ‘pe’) 2D
44   ATS8pe ATS (8, ‘pe’) 2D
45   ATS0p ATS (0, ‘p’) 2D
46   ATS1p ATS (1, ‘p’) 2D
47   ATS2p ATS (2, ‘p’) 2D
48   ATS3p ATS (3, ‘p’) 2D
49   ATS4p ATS (4, ‘p’) 2D
50   ATS5p ATS (5, ‘p’) 2D
51   ATS6p ATS (6, ‘p’) 2D
52   ATS7p ATS (7, ‘p’) 2D
53   ATS8p ATS (8, ‘p’) 2D
54   ATS0v ATS (0, ‘v’) 2D
55   ATS1v ATS (1, ‘v’) 2D
56   ATS2v ATS (2, ‘v’) 2D
57   ATS3v ATS (3, ‘v’) 2D
58   ATS4v ATS (4, ‘v’) 2D
59   ATS5v ATS (5, ‘v’) 2D
60   ATS6v ATS (6, ‘v’) 2D
61   ATS7v ATS (7, ‘v’) 2D
62   ATS8v ATS (8, ‘v’) 2D
63   ATS0se ATS (0, ‘se’) 2D
64   ATS1se ATS (1, ‘se’) 2D
65   ATS2se ATS (2, ‘se’) 2D
66   ATS3se ATS (3, ‘se’) 2D
67   ATS4se ATS (4, ‘se’) 2D
68   ATS5se ATS (5, ‘se’) 2D
69   ATS6se ATS (6, ‘se’) 2D
70   ATS7se ATS (7, ‘se’) 2D
71   ATS8se ATS (8, ‘se’) 2D
72   ATS0i ATS (0, ‘i’) 2D
73   ATS1i ATS (1, ‘i’) 2D
74   ATS2i ATS (2, ‘i’) 2D
75   ATS3i ATS (3, ‘i’) 2D
76   ATS4i ATS (4, ‘i’) 2D
77   ATS5i ATS (5, ‘i’) 2D
78   ATS6i ATS (6, ‘i’) 2D
79   ATS7i ATS (7, ‘i’) 2D
80   ATS8i ATS (8, ‘i’) 2D
81   ATS0are ATS (0, ‘are’) 2D
82   ATS1are ATS (1, ‘are’) 2D
83   ATS2are ATS (2, ‘are’) 2D
84   ATS3are ATS (3, ‘are’) 2D
85   ATS4are ATS (4, ‘are’) 2D
86   ATS5are ATS (5, ‘are’) 2D
87   ATS6are ATS (6, ‘are’) 2D
88   ATS7are ATS (7, ‘are’) 2D
89   ATS8are ATS (8, ‘are’) 2D
90   ATS0d ATS (0, ‘d’) 2D
91   ATS1d ATS (1, ‘d’) 2D
92   ATS2d ATS (2, ‘d’) 2D
93   ATS3d ATS (3, ‘d’) 2D
94   ATS4d ATS (4, ‘d’) 2D
95   ATS5d ATS (5, ‘d’) 2D
96   ATS6d ATS (6, ‘d’) 2D
97   ATS7d ATS (7, ‘d’) 2D
98   ATS8d ATS (8, ‘d’) 2D
99   ATS0s ATS (0, ‘s’) 2D
100   ATS1s ATS (1, ‘s’) 2D
101   ATS2s ATS (2, ‘s’) 2D
102   ATS3s ATS (3, ‘s’) 2D
103   ATS4s ATS (4, ‘s’) 2D
104   ATS5s ATS (5, ‘s’) 2D
105   ATS6s ATS (6, ‘s’) 2D
106   ATS7s ATS (7, ‘s’) 2D
107   ATS8s ATS (8, ‘s’) 2D
108   ATS0m ATS (0, ‘m’) 2D
109   ATS1m ATS (1, ‘m’) 2D
110   ATS2m ATS (2, ‘m’) 2D
111   ATS3m ATS (3, ‘m’) 2D
112   ATS4m ATS (4, ‘m’) 2D
113   ATS5m ATS (5, ‘m’) 2D
114   ATS6m ATS (6, ‘m’) 2D
115   ATS7m ATS (7, ‘m’) 2D
116   ATS8m ATS (8, ‘m’) 2D
117   ATS0Z ATS (0, ‘Z’) 2D
118   ATS1Z ATS (1, ‘Z’) 2D
119   ATS2Z ATS (2, ‘Z’) 2D
120   ATS3Z ATS (3, ‘Z’) 2D
121   ATS4Z ATS (4, ‘Z’) 2D
122   ATS5Z ATS (5, ‘Z’) 2D
123   ATS6Z ATS (6, ‘Z’) 2D
124   ATS7Z ATS (7, ‘Z’) 2D
125   ATS8Z ATS (8, ‘Z’) 2D
126   ATS0dv ATS (0, ‘dv’) 2D
127   ATS1dv ATS (1, ‘dv’) 2D
128   ATS2dv ATS (2, ‘dv’) 2D
129   ATS3dv ATS (3, ‘dv’) 2D
130   ATS4dv ATS (4, ‘dv’) 2D
131   ATS5dv ATS (5, ‘dv’) 2D
132   ATS6dv ATS (6, ‘dv’) 2D
133   ATS7dv ATS (7, ‘dv’) 2D
134   ATS8dv ATS (8, ‘dv’) 2D
135   AATS0pe AATS (0, ‘pe’) 2D
136   AATS1pe AATS (1, ‘pe’) 2D
137   AATS2pe AATS (2, ‘pe’) 2D
138   AATS3pe AATS (3, ‘pe’) 2D
139   AATS4pe AATS (4, ‘pe’) 2D
140   AATS5pe AATS (5, ‘pe’) 2D
141   AATS6pe AATS (6, ‘pe’) 2D
142   AATS7pe AATS (7, ‘pe’) 2D
143   AATS8pe AATS (8, ‘pe’) 2D
144   AATS0p AATS (0, ‘p’) 2D
145   AATS1p AATS (1, ‘p’) 2D
146   AATS2p AATS (2, ‘p’) 2D
147   AATS3p AATS (3, ‘p’) 2D
148   AATS4p AATS (4, ‘p’) 2D
149   AATS5p AATS (5, ‘p’) 2D
150   AATS6p AATS (6, ‘p’) 2D
151   AATS7p AATS (7, ‘p’) 2D
152   AATS8p AATS (8, ‘p’) 2D
153   AATS0v AATS (0, ‘v’) 2D
154   AATS1v AATS (1, ‘v’) 2D
155   AATS2v AATS (2, ‘v’) 2D
156   AATS3v AATS (3, ‘v’) 2D
157   AATS4v AATS (4, ‘v’) 2D
158   AATS5v AATS (5, ‘v’) 2D
159   AATS6v AATS (6, ‘v’) 2D
160   AATS7v AATS (7, ‘v’) 2D
161   AATS8v AATS (8, ‘v’) 2D
162   AATS0se AATS (0, ‘se’) 2D
163   AATS1se AATS (1, ‘se’) 2D
164   AATS2se AATS (2, ‘se’) 2D
165   AATS3se AATS (3, ‘se’) 2D
166   AATS4se AATS (4, ‘se’) 2D
167   AATS5se AATS (5, ‘se’) 2D
168   AATS6se AATS (6, ‘se’) 2D
169   AATS7se AATS (7, ‘se’) 2D
170   AATS8se AATS (8, ‘se’) 2D
171   AATS0i AATS (0, ‘i’) 2D
172   AATS1i AATS (1, ‘i’) 2D
173   AATS2i AATS (2, ‘i’) 2D
174   AATS3i AATS (3, ‘i’) 2D
175   AATS4i AATS (4, ‘i’) 2D
176   AATS5i AATS (5, ‘i’) 2D
177   AATS6i AATS (6, ‘i’) 2D
178   AATS7i AATS (7, ‘i’) 2D
179   AATS8i AATS (8, ‘i’) 2D
180   AATS0are AATS (0, ‘are’) 2D
181   AATS1are AATS (1, ‘are’) 2D
182   AATS2are AATS (2, ‘are’) 2D
183   AATS3are AATS (3, ‘are’) 2D
184   AATS4are AATS (4, ‘are’) 2D
185   AATS5are AATS (5, ‘are’) 2D
186   AATS6are AATS (6, ‘are’) 2D
187   AATS7are AATS (7, ‘are’) 2D
188   AATS8are AATS (8, ‘are’) 2D
189   AATS0d AATS (0, ‘d’) 2D
190   AATS1d AATS (1, ‘d’) 2D
191   AATS2d AATS (2, ‘d’) 2D
192   AATS3d AATS (3, ‘d’) 2D
193   AATS4d AATS (4, ‘d’) 2D
194   AATS5d AATS (5, ‘d’) 2D
195   AATS6d AATS (6, ‘d’) 2D
196   AATS7d AATS (7, ‘d’) 2D
197   AATS8d AATS (8, ‘d’) 2D
198   AATS0s AATS (0, ‘s’) 2D
199   AATS1s AATS (1, ‘s’) 2D
200   AATS2s AATS (2, ‘s’) 2D
201   AATS3s AATS (3, ‘s’) 2D
202   AATS4s AATS (4, ‘s’) 2D
203   AATS5s AATS (5, ‘s’) 2D
204   AATS6s AATS (6, ‘s’) 2D
205   AATS7s AATS (7, ‘s’) 2D
206   AATS8s AATS (8, ‘s’) 2D
207   AATS0m AATS (0, ‘m’) 2D
208   AATS1m AATS (1, ‘m’) 2D
209   AATS2m AATS (2, ‘m’) 2D
210   AATS3m AATS (3, ‘m’) 2D
211   AATS4m AATS (4, ‘m’) 2D
212   AATS5m AATS (5, ‘m’) 2D
213   AATS6m AATS (6, ‘m’) 2D
214   AATS7m AATS (7, ‘m’) 2D
215   AATS8m AATS (8, ‘m’) 2D
216   AATS0Z AATS (0, ‘Z’) 2D
217   AATS1Z AATS (1, ‘Z’) 2D
218   AATS2Z AATS (2, ‘Z’) 2D
219   AATS3Z AATS (3, ‘Z’) 2D
220   AATS4Z AATS (4, ‘Z’) 2D
221   AATS5Z AATS (5, ‘Z’) 2D
222   AATS6Z AATS (6, ‘Z’) 2D
223   AATS7Z AATS (7, ‘Z’) 2D
224   AATS8Z AATS (8, ‘Z’) 2D
225   AATS0dv AATS (0, ‘dv’) 2D
226   AATS1dv AATS (1, ‘dv’) 2D
227   AATS2dv AATS (2, ‘dv’) 2D
228   AATS3dv AATS (3, ‘dv’) 2D
229   AATS4dv AATS (4, ‘dv’) 2D
230   AATS5dv AATS (5, ‘dv’) 2D
231   AATS6dv AATS (6, ‘dv’) 2D
232   AATS7dv AATS (7, ‘dv’) 2D
233   AATS8dv AATS (8, ‘dv’) 2D
234   ATSC0pe ATSC (0, ‘pe’) 2D
235   ATSC1pe ATSC (1, ‘pe’) 2D
236   ATSC2pe ATSC (2, ‘pe’) 2D
237   ATSC3pe ATSC (3, ‘pe’) 2D
238   ATSC4pe ATSC (4, ‘pe’) 2D
239   ATSC5pe ATSC (5, ‘pe’) 2D
240   ATSC6pe ATSC (6, ‘pe’) 2D
241   ATSC7pe ATSC (7, ‘pe’) 2D
242   ATSC8pe ATSC (8, ‘pe’) 2D
243   ATSC0p ATSC (0, ‘p’) 2D
244   ATSC1p ATSC (1, ‘p’) 2D
245   ATSC2p ATSC (2, ‘p’) 2D
246   ATSC3p ATSC (3, ‘p’) 2D
247   ATSC4p ATSC (4, ‘p’) 2D
248   ATSC5p ATSC (5, ‘p’) 2D
249   ATSC6p ATSC (6, ‘p’) 2D
250   ATSC7p ATSC (7, ‘p’) 2D
251   ATSC8p ATSC (8, ‘p’) 2D
252   ATSC0v ATSC (0, ‘v’) 2D
253   ATSC1v ATSC (1, ‘v’) 2D
254   ATSC2v ATSC (2, ‘v’) 2D
255   ATSC3v ATSC (3, ‘v’) 2D
256   ATSC4v ATSC (4, ‘v’) 2D
257   ATSC5v ATSC (5, ‘v’) 2D
258   ATSC6v ATSC (6, ‘v’) 2D
259   ATSC7v ATSC (7, ‘v’) 2D
260   ATSC8v ATSC (8, ‘v’) 2D
261   ATSC0se ATSC (0, ‘se’) 2D
262   ATSC1se ATSC (1, ‘se’) 2D
263   ATSC2se ATSC (2, ‘se’) 2D
264   ATSC3se ATSC (3, ‘se’) 2D
265   ATSC4se ATSC (4, ‘se’) 2D
266   ATSC5se ATSC (5, ‘se’) 2D
267   ATSC6se ATSC (6, ‘se’) 2D
268   ATSC7se ATSC (7, ‘se’) 2D
269   ATSC8se ATSC (8, ‘se’) 2D
270   ATSC0i ATSC (0, ‘i’) 2D
271   ATSC1i ATSC (1, ‘i’) 2D
272   ATSC2i ATSC (2, ‘i’) 2D
273   ATSC3i ATSC (3, ‘i’) 2D
274   ATSC4i ATSC (4, ‘i’) 2D
275   ATSC5i ATSC (5, ‘i’) 2D
276   ATSC6i ATSC (6, ‘i’) 2D
277   ATSC7i ATSC (7, ‘i’) 2D
278   ATSC8i ATSC (8, ‘i’) 2D
279   ATSC0are ATSC (0, ‘are’) 2D
280   ATSC1are ATSC (1, ‘are’) 2D
281   ATSC2are ATSC (2, ‘are’) 2D
282   ATSC3are ATSC (3, ‘are’) 2D
283   ATSC4are ATSC (4, ‘are’) 2D
284   ATSC5are ATSC (5, ‘are’) 2D
285   ATSC6are ATSC (6, ‘are’) 2D
286   ATSC7are ATSC (7, ‘are’) 2D
287   ATSC8are ATSC (8, ‘are’) 2D
288   ATSC0d ATSC (0, ‘d’) 2D
289   ATSC1d ATSC (1, ‘d’) 2D
290   ATSC2d ATSC (2, ‘d’) 2D
291   ATSC3d ATSC (3, ‘d’) 2D
292   ATSC4d ATSC (4, ‘d’) 2D
293   ATSC5d ATSC (5, ‘d’) 2D
294   ATSC6d ATSC (6, ‘d’) 2D
295   ATSC7d ATSC (7, ‘d’) 2D
296   ATSC8d ATSC (8, ‘d’) 2D
297   ATSC0s ATSC (0, ‘s’) 2D
298   ATSC1s ATSC (1, ‘s’) 2D
299   ATSC2s ATSC (2, ‘s’) 2D
300   ATSC3s ATSC (3, ‘s’) 2D
301   ATSC4s ATSC (4, ‘s’) 2D
302   ATSC5s ATSC (5, ‘s’) 2D
303   ATSC6s ATSC (6, ‘s’) 2D
304   ATSC7s ATSC (7, ‘s’) 2D
305   ATSC8s ATSC (8, ‘s’) 2D
306   ATSC0m ATSC (0, ‘m’) 2D
307   ATSC1m ATSC (1, ‘m’) 2D
308   ATSC2m ATSC (2, ‘m’) 2D
309   ATSC3m ATSC (3, ‘m’) 2D
310   ATSC4m ATSC (4, ‘m’) 2D
311   ATSC5m ATSC (5, ‘m’) 2D
312   ATSC6m ATSC (6, ‘m’) 2D
313   ATSC7m ATSC (7, ‘m’) 2D
314   ATSC8m ATSC (8, ‘m’) 2D
315   ATSC0c ATSC (0, ‘c’) 2D
316   ATSC1c ATSC (1, ‘c’) 2D
317   ATSC2c ATSC (2, ‘c’) 2D
318   ATSC3c ATSC (3, ‘c’) 2D
319   ATSC4c ATSC (4, ‘c’) 2D
320   ATSC5c ATSC (5, ‘c’) 2D
321   ATSC6c ATSC (6, ‘c’) 2D
322   ATSC7c ATSC (7, ‘c’) 2D
323   ATSC8c ATSC (8, ‘c’) 2D
324   ATSC0Z ATSC (0, ‘Z’) 2D
325   ATSC1Z ATSC (1, ‘Z’) 2D
326   ATSC2Z ATSC (2, ‘Z’) 2D
327   ATSC3Z ATSC (3, ‘Z’) 2D
328   ATSC4Z ATSC (4, ‘Z’) 2D
329   ATSC5Z ATSC (5, ‘Z’) 2D
330   ATSC6Z ATSC (6, ‘Z’) 2D
331   ATSC7Z ATSC (7, ‘Z’) 2D
332   ATSC8Z ATSC (8, ‘Z’) 2D
333   ATSC0dv ATSC (0, ‘dv’) 2D
334   ATSC1dv ATSC (1, ‘dv’) 2D
335   ATSC2dv ATSC (2, ‘dv’) 2D
336   ATSC3dv ATSC (3, ‘dv’) 2D
337   ATSC4dv ATSC (4, ‘dv’) 2D
338   ATSC5dv ATSC (5, ‘dv’) 2D
339   ATSC6dv ATSC (6, ‘dv’) 2D
340   ATSC7dv ATSC (7, ‘dv’) 2D
341   ATSC8dv ATSC (8, ‘dv’) 2D
342   AATSC0pe AATSC (0, ‘pe’) 2D
343   AATSC1pe AATSC (1, ‘pe’) 2D
344   AATSC2pe AATSC (2, ‘pe’) 2D
345   AATSC3pe AATSC (3, ‘pe’) 2D
346   AATSC4pe AATSC (4, ‘pe’) 2D
347   AATSC5pe AATSC (5, ‘pe’) 2D
348   AATSC6pe AATSC (6, ‘pe’) 2D
349   AATSC7pe AATSC (7, ‘pe’) 2D
350   AATSC8pe AATSC (8, ‘pe’) 2D
351   AATSC0p AATSC (0, ‘p’) 2D
352   AATSC1p AATSC (1, ‘p’) 2D
353   AATSC2p AATSC (2, ‘p’) 2D
354   AATSC3p AATSC (3, ‘p’) 2D
355   AATSC4p AATSC (4, ‘p’) 2D
356   AATSC5p AATSC (5, ‘p’) 2D
357   AATSC6p AATSC (6, ‘p’) 2D
358   AATSC7p AATSC (7, ‘p’) 2D
359   AATSC8p AATSC (8, ‘p’) 2D
360   AATSC0v AATSC (0, ‘v’) 2D
361   AATSC1v AATSC (1, ‘v’) 2D
362   AATSC2v AATSC (2, ‘v’) 2D
363   AATSC3v AATSC (3, ‘v’) 2D
364   AATSC4v AATSC (4, ‘v’) 2D
365   AATSC5v AATSC (5, ‘v’) 2D
366   AATSC6v AATSC (6, ‘v’) 2D
367   AATSC7v AATSC (7, ‘v’) 2D
368   AATSC8v AATSC (8, ‘v’) 2D
369   AATSC0se AATSC (0, ‘se’) 2D
370   AATSC1se AATSC (1, ‘se’) 2D
371   AATSC2se AATSC (2, ‘se’) 2D
372   AATSC3se AATSC (3, ‘se’) 2D
373   AATSC4se AATSC (4, ‘se’) 2D
374   AATSC5se AATSC (5, ‘se’) 2D
375   AATSC6se AATSC (6, ‘se’) 2D
376   AATSC7se AATSC (7, ‘se’) 2D
377   AATSC8se AATSC (8, ‘se’) 2D
378   AATSC0i AATSC (0, ‘i’) 2D
379   AATSC1i AATSC (1, ‘i’) 2D
380   AATSC2i AATSC (2, ‘i’) 2D
381   AATSC3i AATSC (3, ‘i’) 2D
382   AATSC4i AATSC (4, ‘i’) 2D
383   AATSC5i AATSC (5, ‘i’) 2D
384   AATSC6i AATSC (6, ‘i’) 2D
385   AATSC7i AATSC (7, ‘i’) 2D
386   AATSC8i AATSC (8, ‘i’) 2D
387   AATSC0are AATSC (0, ‘are’) 2D
388   AATSC1are AATSC (1, ‘are’) 2D
389   AATSC2are AATSC (2, ‘are’) 2D
390   AATSC3are AATSC (3, ‘are’) 2D
391   AATSC4are AATSC (4, ‘are’) 2D
392   AATSC5are AATSC (5, ‘are’) 2D
393   AATSC6are AATSC (6, ‘are’) 2D
394   AATSC7are AATSC (7, ‘are’) 2D
395   AATSC8are AATSC (8, ‘are’) 2D
396   AATSC0d AATSC (0, ‘d’) 2D
397   AATSC1d AATSC (1, ‘d’) 2D
398   AATSC2d AATSC (2, ‘d’) 2D
399   AATSC3d AATSC (3, ‘d’) 2D
400   AATSC4d AATSC (4, ‘d’) 2D
401   AATSC5d AATSC (5, ‘d’) 2D
402   AATSC6d AATSC (6, ‘d’) 2D
403   AATSC7d AATSC (7, ‘d’) 2D
404   AATSC8d AATSC (8, ‘d’) 2D
405   AATSC0s AATSC (0, ‘s’) 2D
406   AATSC1s AATSC (1, ‘s’) 2D
407   AATSC2s AATSC (2, ‘s’) 2D
408   AATSC3s AATSC (3, ‘s’) 2D
409   AATSC4s AATSC (4, ‘s’) 2D
410   AATSC5s AATSC (5, ‘s’) 2D
411   AATSC6s AATSC (6, ‘s’) 2D
412   AATSC7s AATSC (7, ‘s’) 2D
413   AATSC8s AATSC (8, ‘s’) 2D
414   AATSC0m AATSC (0, ‘m’) 2D
415   AATSC1m AATSC (1, ‘m’) 2D
416   AATSC2m AATSC (2, ‘m’) 2D
417   AATSC3m AATSC (3, ‘m’) 2D
418   AATSC4m AATSC (4, ‘m’) 2D
419   AATSC5m AATSC (5, ‘m’) 2D
420   AATSC6m AATSC (6, ‘m’) 2D
421   AATSC7m AATSC (7, ‘m’) 2D
422   AATSC8m AATSC (8, ‘m’) 2D
423   AATSC0c AATSC (0, ‘c’) 2D
424   AATSC1c AATSC (1, ‘c’) 2D
425   AATSC2c AATSC (2, ‘c’) 2D
426   AATSC3c AATSC (3, ‘c’) 2D
427   AATSC4c AATSC (4, ‘c’) 2D
428   AATSC5c AATSC (5, ‘c’) 2D
429   AATSC6c AATSC (6, ‘c’) 2D
430   AATSC7c AATSC (7, ‘c’) 2D
431   AATSC8c AATSC (8, ‘c’) 2D
432   AATSC0Z AATSC (0, ‘Z’) 2D
433   AATSC1Z AATSC (1, ‘Z’) 2D
434   AATSC2Z AATSC (2, ‘Z’) 2D
435   AATSC3Z AATSC (3, ‘Z’) 2D
436   AATSC4Z AATSC (4, ‘Z’) 2D
437   AATSC5Z AATSC (5, ‘Z’) 2D
438   AATSC6Z AATSC (6, ‘Z’) 2D
439   AATSC7Z AATSC (7, ‘Z’) 2D
440   AATSC8Z AATSC (8, ‘Z’) 2D
441   AATSC0dv AATSC (0, ‘dv’) 2D
442   AATSC1dv AATSC (1, ‘dv’) 2D
443   AATSC2dv AATSC (2, ‘dv’) 2D
444   AATSC3dv AATSC (3, ‘dv’) 2D
445   AATSC4dv AATSC (4, ‘dv’) 2D
446   AATSC5dv AATSC (5, ‘dv’) 2D
447   AATSC6dv AATSC (6, ‘dv’) 2D
448   AATSC7dv AATSC (7, ‘dv’) 2D
449   AATSC8dv AATSC (8, ‘dv’) 2D
450   MATS1pe MATS (1, ‘pe’) 2D
451   MATS2pe MATS (2, ‘pe’) 2D
452   MATS3pe MATS (3, ‘pe’) 2D
453   MATS4pe MATS (4, ‘pe’) 2D
454   MATS5pe MATS (5, ‘pe’) 2D
455   MATS6pe MATS (6, ‘pe’) 2D
456   MATS7pe MATS (7, ‘pe’) 2D
457   MATS8pe MATS (8, ‘pe’) 2D
458   MATS1p MATS (1, ‘p’) 2D
459   MATS2p MATS (2, ‘p’) 2D
460   MATS3p MATS (3, ‘p’) 2D
461   MATS4p MATS (4, ‘p’) 2D
462   MATS5p MATS (5, ‘p’) 2D
463   MATS6p MATS (6, ‘p’) 2D
464   MATS7p MATS (7, ‘p’) 2D
465   MATS8p MATS (8, ‘p’) 2D
466   MATS1v MATS (1, ‘v’) 2D
467   MATS2v MATS (2, ‘v’) 2D
468   MATS3v MATS (3, ‘v’) 2D
469   MATS4v MATS (4, ‘v’) 2D
470   MATS5v MATS (5, ‘v’) 2D
471   MATS6v MATS (6, ‘v’) 2D
472   MATS7v MATS (7, ‘v’) 2D
473   MATS8v MATS (8, ‘v’) 2D
474   MATS1se MATS (1, ‘se’) 2D
475   MATS2se MATS (2, ‘se’) 2D
476   MATS3se MATS (3, ‘se’) 2D
477   MATS4se MATS (4, ‘se’) 2D
478   MATS5se MATS (5, ‘se’) 2D
479   MATS6se MATS (6, ‘se’) 2D
480   MATS7se MATS (7, ‘se’) 2D
481   MATS8se MATS (8, ‘se’) 2D
482   MATS1i MATS (1, ‘i’) 2D
483   MATS2i MATS (2, ‘i’) 2D
484   MATS3i MATS (3, ‘i’) 2D
485   MATS4i MATS (4, ‘i’) 2D
486   MATS5i MATS (5, ‘i’) 2D
487   MATS6i MATS (6, ‘i’) 2D
488   MATS7i MATS (7, ‘i’) 2D
489   MATS8i MATS (8, ‘i’) 2D
490   MATS1are MATS (1, ‘are’) 2D
491   MATS2are MATS (2, ‘are’) 2D
492   MATS3are MATS (3, ‘are’) 2D
493   MATS4are MATS (4, ‘are’) 2D
494   MATS5are MATS (5, ‘are’) 2D
495   MATS6are MATS (6, ‘are’) 2D
496   MATS7are MATS (7, ‘are’) 2D
497   MATS8are MATS (8, ‘are’) 2D
498   MATS1d MATS (1, ‘d’) 2D
499   MATS2d MATS (2, ‘d’) 2D
500   MATS3d MATS (3, ‘d’) 2D
501   MATS4d MATS (4, ‘d’) 2D
502   MATS5d MATS (5, ‘d’) 2D
503   MATS6d MATS (6, ‘d’) 2D
504   MATS7d MATS (7, ‘d’) 2D
505   MATS8d MATS (8, ‘d’) 2D
506   MATS1s MATS (1, ‘s’) 2D
507   MATS2s MATS (2, ‘s’) 2D
508   MATS3s MATS (3, ‘s’) 2D
509   MATS4s MATS (4, ‘s’) 2D
510   MATS5s MATS (5, ‘s’) 2D
511   MATS6s MATS (6, ‘s’) 2D
512   MATS7s MATS (7, ‘s’) 2D
513   MATS8s MATS (8, ‘s’) 2D
514   MATS1m MATS (1, ‘m’) 2D
515   MATS2m MATS (2, ‘m’) 2D
516   MATS3m MATS (3, ‘m’) 2D
517   MATS4m MATS (4, ‘m’) 2D
518   MATS5m MATS (5, ‘m’) 2D
519   MATS6m MATS (6, ‘m’) 2D
520   MATS7m MATS (7, ‘m’) 2D
521   MATS8m MATS (8, ‘m’) 2D
522   MATS1c MATS (1, ‘c’) 2D
523   MATS2c MATS (2, ‘c’) 2D
524   MATS3c MATS (3, ‘c’) 2D
525   MATS4c MATS (4, ‘c’) 2D
526   MATS5c MATS (5, ‘c’) 2D
527   MATS6c MATS (6, ‘c’) 2D
528   MATS7c MATS (7, ‘c’) 2D
529   MATS8c MATS (8, ‘c’) 2D
530   MATS1Z MATS (1, ‘Z’) 2D
531   MATS2Z MATS (2, ‘Z’) 2D
532   MATS3Z MATS (3, ‘Z’) 2D
533   MATS4Z MATS (4, ‘Z’) 2D
534   MATS5Z MATS (5, ‘Z’) 2D
535   MATS6Z MATS (6, ‘Z’) 2D
536   MATS7Z MATS (7, ‘Z’) 2D
537   MATS8Z MATS (8, ‘Z’) 2D
538   MATS1dv MATS (1, ‘dv’) 2D
539   MATS2dv MATS (2, ‘dv’) 2D
540   MATS3dv MATS (3, ‘dv’) 2D
541   MATS4dv MATS (4, ‘dv’) 2D
542   MATS5dv MATS (5, ‘dv’) 2D
543   MATS6dv MATS (6, ‘dv’) 2D
544   MATS7dv MATS (7, ‘dv’) 2D
545   MATS8dv MATS (8, ‘dv’) 2D
546   GATS1pe GATS (1, ‘pe’) 2D
547   GATS2pe GATS (2, ‘pe’) 2D
548   GATS3pe GATS (3, ‘pe’) 2D
549   GATS4pe GATS (4, ‘pe’) 2D
550   GATS5pe GATS (5, ‘pe’) 2D
551   GATS6pe GATS (6, ‘pe’) 2D
552   GATS7pe GATS (7, ‘pe’) 2D
553   GATS8pe GATS (8, ‘pe’) 2D
554   GATS1p GATS (1, ‘p’) 2D
555   GATS2p GATS (2, ‘p’) 2D
556   GATS3p GATS (3, ‘p’) 2D
557   GATS4p GATS (4, ‘p’) 2D
558   GATS5p GATS (5, ‘p’) 2D
559   GATS6p GATS (6, ‘p’) 2D
560   GATS7p GATS (7, ‘p’) 2D
561   GATS8p GATS (8, ‘p’) 2D
562   GATS1v GATS (1, ‘v’) 2D
563   GATS2v GATS (2, ‘v’) 2D
564   GATS3v GATS (3, ‘v’) 2D
565   GATS4v GATS (4, ‘v’) 2D
566   GATS5v GATS (5, ‘v’) 2D
567   GATS6v GATS (6, ‘v’) 2D
568   GATS7v GATS (7, ‘v’) 2D
569   GATS8v GATS (8, ‘v’) 2D
570   GATS1se GATS (1, ‘se’) 2D
571   GATS2se GATS (2, ‘se’) 2D
572   GATS3se GATS (3, ‘se’) 2D
573   GATS4se GATS (4, ‘se’) 2D
574   GATS5se GATS (5, ‘se’) 2D
575   GATS6se GATS (6, ‘se’) 2D
576   GATS7se GATS (7, ‘se’) 2D
577   GATS8se GATS (8, ‘se’) 2D
578   GATS1i GATS (1, ‘i’) 2D
579   GATS2i GATS (2, ‘i’) 2D
580   GATS3i GATS (3, ‘i’) 2D
581   GATS4i GATS (4, ‘i’) 2D
582   GATS5i GATS (5, ‘i’) 2D
583   GATS6i GATS (6, ‘i’) 2D
584   GATS7i GATS (7, ‘i’) 2D
585   GATS8i GATS (8, ‘i’) 2D
586   GATS1are GATS (1, ‘are’) 2D
587   GATS2are GATS (2, ‘are’) 2D
588   GATS3are GATS (3, ‘are’) 2D
589   GATS4are GATS (4, ‘are’) 2D
590   GATS5are GATS (5, ‘are’) 2D
591   GATS6are GATS (6, ‘are’) 2D
592   GATS7are GATS (7, ‘are’) 2D
593   GATS8are GATS (8, ‘are’) 2D
594   GATS1d GATS (1, ‘d’) 2D
595   GATS2d GATS (2, ‘d’) 2D
596   GATS3d GATS (3, ‘d’) 2D
597   GATS4d GATS (4, ‘d’) 2D
598   GATS5d GATS (5, ‘d’) 2D
599   GATS6d GATS (6, ‘d’) 2D
600   GATS7d GATS (7, ‘d’) 2D
601   GATS8d GATS (8, ‘d’) 2D
602   GATS1s GATS (1, ‘s’) 2D
603   GATS2s GATS (2, ‘s’) 2D
604   GATS3s GATS (3, ‘s’) 2D
605   GATS4s GATS (4, ‘s’) 2D
606   GATS5s GATS (5, ‘s’) 2D
607   GATS6s GATS (6, ‘s’) 2D
608   GATS7s GATS (7, ‘s’) 2D
609   GATS8s GATS (8, ‘s’) 2D
610   GATS1m GATS (1, ‘m’) 2D
611   GATS2m GATS (2, ‘m’) 2D
612   GATS3m GATS (3, ‘m’) 2D
613   GATS4m GATS (4, ‘m’) 2D
614   GATS5m GATS (5, ‘m’) 2D
615   GATS6m GATS (6, ‘m’) 2D
616   GATS7m GATS (7, ‘m’) 2D
617   GATS8m GATS (8, ‘m’) 2D
618   GATS1c GATS (1, ‘c’) 2D
619   GATS2c GATS (2, ‘c’) 2D
620   GATS3c GATS (3, ‘c’) 2D
621   GATS4c GATS (4, ‘c’) 2D
622   GATS5c GATS (5, ‘c’) 2D
623   GATS6c GATS (6, ‘c’) 2D
624   GATS7c GATS (7, ‘c’) 2D
625   GATS8c GATS (8, ‘c’) 2D
626   GATS1Z GATS (1, ‘Z’) 2D
627   GATS2Z GATS (2, ‘Z’) 2D
628   GATS3Z GATS (3, ‘Z’) 2D
629   GATS4Z GATS (4, ‘Z’) 2D
630   GATS5Z GATS (5, ‘Z’) 2D
631   GATS6Z GATS (6, ‘Z’) 2D
632   GATS7Z GATS (7, ‘Z’) 2D
633   GATS8Z GATS (8, ‘Z’) 2D
634   GATS1dv GATS (1, ‘dv’) 2D
635   GATS2dv GATS (2, ‘dv’) 2D
636   GATS3dv GATS (3, ‘dv’) 2D
637   GATS4dv GATS (4, ‘dv’) 2D
638   GATS5dv GATS (5, ‘dv’) 2D
639   GATS6dv GATS (6, ‘dv’) 2D
640   GATS7dv GATS (7, ‘dv’) 2D
641   GATS8dv GATS (8, ‘dv’) 2D
642 BCUT BCUTpe-1h BCUT (‘pe’, 0) 2D
643   BCUTpe-1l BCUT (‘pe’, -1) 2D
644   BCUTp-1h BCUT (‘p’, 0) 2D
645   BCUTp-1l BCUT (‘p’, -1) 2D
646   BCUTv-1h BCUT (‘v’, 0) 2D
647   BCUTv-1l BCUT (‘v’, -1) 2D
648   BCUTse-1h BCUT (‘se’, 0) 2D
649   BCUTse-1l BCUT (‘se’, -1) 2D
650   BCUTi-1h BCUT (‘i’, 0) 2D
651   BCUTi-1l BCUT (‘i’, -1) 2D
652   BCUTare-1h BCUT (‘are’, 0) 2D
653   BCUTare-1l BCUT (‘are’, -1) 2D
654   BCUTd-1h BCUT (‘d’, 0) 2D
655   BCUTd-1l BCUT (‘d’, -1) 2D
656   BCUTs-1h BCUT (‘s’, 0) 2D
657   BCUTs-1l BCUT (‘s’, -1) 2D
658   BCUTm-1h BCUT (‘m’, 0) 2D
659   BCUTm-1l BCUT (‘m’, -1) 2D
660   BCUTc-1h BCUT (‘c’, 0) 2D
661   BCUTc-1l BCUT (‘c’, -1) 2D
662   BCUTZ-1h BCUT (‘Z’, 0) 2D
663   BCUTZ-1l BCUT (‘Z’, -1) 2D
664   BCUTdv-1h BCUT (‘dv’, 0) 2D
665   BCUTdv-1l BCUT (‘dv’, -1) 2D
666 BalabanJ BalabanJ BalabanJ () 2D
667 BaryszMatrix SpAbs_Dzpe BaryszMatrix (‘pe’, ‘SpAbs’) 2D
668   SpMax_Dzpe BaryszMatrix (‘pe’, ‘SpMax’) 2D
669   SpDiam_Dzpe BaryszMatrix (‘pe’, ‘SpDiam’) 2D
670   SpAD_Dzpe BaryszMatrix (‘pe’, ‘SpAD’) 2D
671   SpMAD_Dzpe BaryszMatrix (‘pe’, ‘SpMAD’) 2D
672   LogEE_Dzpe BaryszMatrix (‘pe’, ‘LogEE’) 2D
673   SM1_Dzpe BaryszMatrix (‘pe’, ‘SM1’) 2D
674   VE1_Dzpe BaryszMatrix (‘pe’, ‘VE1’) 2D
675   VE2_Dzpe BaryszMatrix (‘pe’, ‘VE2’) 2D
676   VE3_Dzpe BaryszMatrix (‘pe’, ‘VE3’) 2D
677   VR1_Dzpe BaryszMatrix (‘pe’, ‘VR1’) 2D
678   VR2_Dzpe BaryszMatrix (‘pe’, ‘VR2’) 2D
679   VR3_Dzpe BaryszMatrix (‘pe’, ‘VR3’) 2D
680   SpAbs_Dzp BaryszMatrix (‘p’, ‘SpAbs’) 2D
681   SpMax_Dzp BaryszMatrix (‘p’, ‘SpMax’) 2D
682   SpDiam_Dzp BaryszMatrix (‘p’, ‘SpDiam’) 2D
683   SpAD_Dzp BaryszMatrix (‘p’, ‘SpAD’) 2D
684   SpMAD_Dzp BaryszMatrix (‘p’, ‘SpMAD’) 2D
685   LogEE_Dzp BaryszMatrix (‘p’, ‘LogEE’) 2D
686   SM1_Dzp BaryszMatrix (‘p’, ‘SM1’) 2D
687   VE1_Dzp BaryszMatrix (‘p’, ‘VE1’) 2D
688   VE2_Dzp BaryszMatrix (‘p’, ‘VE2’) 2D
689   VE3_Dzp BaryszMatrix (‘p’, ‘VE3’) 2D
690   VR1_Dzp BaryszMatrix (‘p’, ‘VR1’) 2D
691   VR2_Dzp BaryszMatrix (‘p’, ‘VR2’) 2D
692   VR3_Dzp BaryszMatrix (‘p’, ‘VR3’) 2D
693   SpAbs_Dzv BaryszMatrix (‘v’, ‘SpAbs’) 2D
694   SpMax_Dzv BaryszMatrix (‘v’, ‘SpMax’) 2D
695   SpDiam_Dzv BaryszMatrix (‘v’, ‘SpDiam’) 2D
696   SpAD_Dzv BaryszMatrix (‘v’, ‘SpAD’) 2D
697   SpMAD_Dzv BaryszMatrix (‘v’, ‘SpMAD’) 2D
698   LogEE_Dzv BaryszMatrix (‘v’, ‘LogEE’) 2D
699   SM1_Dzv BaryszMatrix (‘v’, ‘SM1’) 2D
700   VE1_Dzv BaryszMatrix (‘v’, ‘VE1’) 2D
701   VE2_Dzv BaryszMatrix (‘v’, ‘VE2’) 2D
702   VE3_Dzv BaryszMatrix (‘v’, ‘VE3’) 2D
703   VR1_Dzv BaryszMatrix (‘v’, ‘VR1’) 2D
704   VR2_Dzv BaryszMatrix (‘v’, ‘VR2’) 2D
705   VR3_Dzv BaryszMatrix (‘v’, ‘VR3’) 2D
706   SpAbs_Dzse BaryszMatrix (‘se’, ‘SpAbs’) 2D
707   SpMax_Dzse BaryszMatrix (‘se’, ‘SpMax’) 2D
708   SpDiam_Dzse BaryszMatrix (‘se’, ‘SpDiam’) 2D
709   SpAD_Dzse BaryszMatrix (‘se’, ‘SpAD’) 2D
710   SpMAD_Dzse BaryszMatrix (‘se’, ‘SpMAD’) 2D
711   LogEE_Dzse BaryszMatrix (‘se’, ‘LogEE’) 2D
712   SM1_Dzse BaryszMatrix (‘se’, ‘SM1’) 2D
713   VE1_Dzse BaryszMatrix (‘se’, ‘VE1’) 2D
714   VE2_Dzse BaryszMatrix (‘se’, ‘VE2’) 2D
715   VE3_Dzse BaryszMatrix (‘se’, ‘VE3’) 2D
716   VR1_Dzse BaryszMatrix (‘se’, ‘VR1’) 2D
717   VR2_Dzse BaryszMatrix (‘se’, ‘VR2’) 2D
718   VR3_Dzse BaryszMatrix (‘se’, ‘VR3’) 2D
719   SpAbs_Dzi BaryszMatrix (‘i’, ‘SpAbs’) 2D
720   SpMax_Dzi BaryszMatrix (‘i’, ‘SpMax’) 2D
721   SpDiam_Dzi BaryszMatrix (‘i’, ‘SpDiam’) 2D
722   SpAD_Dzi BaryszMatrix (‘i’, ‘SpAD’) 2D
723   SpMAD_Dzi BaryszMatrix (‘i’, ‘SpMAD’) 2D
724   LogEE_Dzi BaryszMatrix (‘i’, ‘LogEE’) 2D
725   SM1_Dzi BaryszMatrix (‘i’, ‘SM1’) 2D
726   VE1_Dzi BaryszMatrix (‘i’, ‘VE1’) 2D
727   VE2_Dzi BaryszMatrix (‘i’, ‘VE2’) 2D
728   VE3_Dzi BaryszMatrix (‘i’, ‘VE3’) 2D
729   VR1_Dzi BaryszMatrix (‘i’, ‘VR1’) 2D
730   VR2_Dzi BaryszMatrix (‘i’, ‘VR2’) 2D
731   VR3_Dzi BaryszMatrix (‘i’, ‘VR3’) 2D
732   SpAbs_Dzare BaryszMatrix (‘are’, ‘SpAbs’) 2D
733   SpMax_Dzare BaryszMatrix (‘are’, ‘SpMax’) 2D
734   SpDiam_Dzare BaryszMatrix (‘are’, ‘SpDiam’) 2D
735   SpAD_Dzare BaryszMatrix (‘are’, ‘SpAD’) 2D
736   SpMAD_Dzare BaryszMatrix (‘are’, ‘SpMAD’) 2D
737   LogEE_Dzare BaryszMatrix (‘are’, ‘LogEE’) 2D
738   SM1_Dzare BaryszMatrix (‘are’, ‘SM1’) 2D
739   VE1_Dzare BaryszMatrix (‘are’, ‘VE1’) 2D
740   VE2_Dzare BaryszMatrix (‘are’, ‘VE2’) 2D
741   VE3_Dzare BaryszMatrix (‘are’, ‘VE3’) 2D
742   VR1_Dzare BaryszMatrix (‘are’, ‘VR1’) 2D
743   VR2_Dzare BaryszMatrix (‘are’, ‘VR2’) 2D
744   VR3_Dzare BaryszMatrix (‘are’, ‘VR3’) 2D
745   SpAbs_Dzm BaryszMatrix (‘m’, ‘SpAbs’) 2D
746   SpMax_Dzm BaryszMatrix (‘m’, ‘SpMax’) 2D
747   SpDiam_Dzm BaryszMatrix (‘m’, ‘SpDiam’) 2D
748   SpAD_Dzm BaryszMatrix (‘m’, ‘SpAD’) 2D
749   SpMAD_Dzm BaryszMatrix (‘m’, ‘SpMAD’) 2D
750   LogEE_Dzm BaryszMatrix (‘m’, ‘LogEE’) 2D
751   SM1_Dzm BaryszMatrix (‘m’, ‘SM1’) 2D
752   VE1_Dzm BaryszMatrix (‘m’, ‘VE1’) 2D
753   VE2_Dzm BaryszMatrix (‘m’, ‘VE2’) 2D
754   VE3_Dzm BaryszMatrix (‘m’, ‘VE3’) 2D
755   VR1_Dzm BaryszMatrix (‘m’, ‘VR1’) 2D
756   VR2_Dzm BaryszMatrix (‘m’, ‘VR2’) 2D
757   VR3_Dzm BaryszMatrix (‘m’, ‘VR3’) 2D
758   SpAbs_DzZ BaryszMatrix (‘Z’, ‘SpAbs’) 2D
759   SpMax_DzZ BaryszMatrix (‘Z’, ‘SpMax’) 2D
760   SpDiam_DzZ BaryszMatrix (‘Z’, ‘SpDiam’) 2D
761   SpAD_DzZ BaryszMatrix (‘Z’, ‘SpAD’) 2D
762   SpMAD_DzZ BaryszMatrix (‘Z’, ‘SpMAD’) 2D
763   LogEE_DzZ BaryszMatrix (‘Z’, ‘LogEE’) 2D
764   SM1_DzZ BaryszMatrix (‘Z’, ‘SM1’) 2D
765   VE1_DzZ BaryszMatrix (‘Z’, ‘VE1’) 2D
766   VE2_DzZ BaryszMatrix (‘Z’, ‘VE2’) 2D
767   VE3_DzZ BaryszMatrix (‘Z’, ‘VE3’) 2D
768   VR1_DzZ BaryszMatrix (‘Z’, ‘VR1’) 2D
769   VR2_DzZ BaryszMatrix (‘Z’, ‘VR2’) 2D
770   VR3_DzZ BaryszMatrix (‘Z’, ‘VR3’) 2D
771 BertzCT BertzCT BertzCT () 2D
772 BondCount nBonds BondCount (‘any’, False) 2D
773   nBondsO BondCount (‘heavy’, False) 2D
774   nBondsS BondCount (‘single’, False) 2D
775   nBondsD BondCount (‘double’, False) 2D
776   nBondsT BondCount (‘triple’, False) 2D
777   nBondsA BondCount (‘aromatic’, False) 2D
778   nBondsM BondCount (‘multiple’, False) 2D
779   nBondsKS BondCount (‘single’, True) 2D
780   nBondsKD BondCount (‘double’, True) 2D
781 CPSA PNSA1 PNSA (1) 3D
782   PNSA2 PNSA (2) 3D
783   PNSA3 PNSA (3) 3D
784   PNSA4 PNSA (4) 3D
785   PNSA5 PNSA (5) 3D
786   PPSA1 PPSA (1) 3D
787   PPSA2 PPSA (2) 3D
788   PPSA3 PPSA (3) 3D
789   PPSA4 PPSA (4) 3D
790   PPSA5 PPSA (5) 3D
791   DPSA1 DPSA (1) 3D
792   DPSA2 DPSA (2) 3D
793   DPSA3 DPSA (3) 3D
794   DPSA4 DPSA (4) 3D
795   DPSA5 DPSA (5) 3D
796   FNSA1 FNSA (1) 3D
797   FNSA2 FNSA (2) 3D
798   FNSA3 FNSA (3) 3D
799   FNSA4 FNSA (4) 3D
800   FNSA5 FNSA (5) 3D
801   FPSA1 FPSA (1) 3D
802   FPSA2 FPSA (2) 3D
803   FPSA3 FPSA (3) 3D
804   FPSA4 FPSA (4) 3D
805   FPSA5 FPSA (5) 3D
806   WNSA1 WNSA (1) 3D
807   WNSA2 WNSA (2) 3D
808   WNSA3 WNSA (3) 3D
809   WNSA4 WNSA (4) 3D
810   WNSA5 WNSA (5) 3D
811   WPSA1 WPSA (1) 3D
812   WPSA2 WPSA (2) 3D
813   WPSA3 WPSA (3) 3D
814   WPSA4 WPSA (4) 3D
815   WPSA5 WPSA (5) 3D
816   RNCG RNCG () 2D
817   RPCG RPCG () 2D
818   RNCS RNCS () 3D
819   RPCS RPCS () 3D
820   TASA TASA () 3D
821   TPSA TPSA () 3D
822   RASA RASA () 3D
823   RPSA RPSA () 3D
824 CarbonTypes C1SP1 CarbonTypes (1, 1) 2D
825   C2SP1 CarbonTypes (2, 1) 2D
826   C1SP2 CarbonTypes (1, 2) 2D
827   C2SP2 CarbonTypes (2, 2) 2D
828   C3SP2 CarbonTypes (3, 2) 2D
829   C1SP3 CarbonTypes (1, 3) 2D
830   C2SP3 CarbonTypes (2, 3) 2D
831   C3SP3 CarbonTypes (3, 3) 2D
832   C4SP3 CarbonTypes (4, 3) 2D
833   HybRatio HybridizationRatio () 2D
834 Chi Xch-3d Chi (‘chain’, 3, ‘d’, False) 2D
835   Xch-4d Chi (‘chain’, 4, ‘d’, False) 2D
836   Xch-5d Chi (‘chain’, 5, ‘d’, False) 2D
837   Xch-6d Chi (‘chain’, 6, ‘d’, False) 2D
838   Xch-7d Chi (‘chain’, 7, ‘d’, False) 2D
839   Xch-3dv Chi (‘chain’, 3, ‘dv’, False) 2D
840   Xch-4dv Chi (‘chain’, 4, ‘dv’, False) 2D
841   Xch-5dv Chi (‘chain’, 5, ‘dv’, False) 2D
842   Xch-6dv Chi (‘chain’, 6, ‘dv’, False) 2D
843   Xch-7dv Chi (‘chain’, 7, ‘dv’, False) 2D
844   Xc-3d Chi (‘cluster’, 3, ‘d’, False) 2D
845   Xc-4d Chi (‘cluster’, 4, ‘d’, False) 2D
846   Xc-5d Chi (‘cluster’, 5, ‘d’, False) 2D
847   Xc-6d Chi (‘cluster’, 6, ‘d’, False) 2D
848   Xc-3dv Chi (‘cluster’, 3, ‘dv’, False) 2D
849   Xc-4dv Chi (‘cluster’, 4, ‘dv’, False) 2D
850   Xc-5dv Chi (‘cluster’, 5, ‘dv’, False) 2D
851   Xc-6dv Chi (‘cluster’, 6, ‘dv’, False) 2D
852   Xpc-4d Chi (‘path_cluster’, 4, ‘d’, False) 2D
853   Xpc-5d Chi (‘path_cluster’, 5, ‘d’, False) 2D
854   Xpc-6d Chi (‘path_cluster’, 6, ‘d’, False) 2D
855   Xpc-4dv Chi (‘path_cluster’, 4, ‘dv’, False) 2D
856   Xpc-5dv Chi (‘path_cluster’, 5, ‘dv’, False) 2D
857   Xpc-6dv Chi (‘path_cluster’, 6, ‘dv’, False) 2D
858   Xp-0d Chi (‘path’, 0, ‘d’, False) 2D
859   Xp-1d Chi (‘path’, 1, ‘d’, False) 2D
860   Xp-2d Chi (‘path’, 2, ‘d’, False) 2D
861   Xp-3d Chi (‘path’, 3, ‘d’, False) 2D
862   Xp-4d Chi (‘path’, 4, ‘d’, False) 2D
863   Xp-5d Chi (‘path’, 5, ‘d’, False) 2D
864   Xp-6d Chi (‘path’, 6, ‘d’, False) 2D
865   Xp-7d Chi (‘path’, 7, ‘d’, False) 2D
866   AXp-0d Chi (‘path’, 0, ‘d’, True) 2D
867   AXp-1d Chi (‘path’, 1, ‘d’, True) 2D
868   AXp-2d Chi (‘path’, 2, ‘d’, True) 2D
869   AXp-3d Chi (‘path’, 3, ‘d’, True) 2D
870   AXp-4d Chi (‘path’, 4, ‘d’, True) 2D
871   AXp-5d Chi (‘path’, 5, ‘d’, True) 2D
872   AXp-6d Chi (‘path’, 6, ‘d’, True) 2D
873   AXp-7d Chi (‘path’, 7, ‘d’, True) 2D
874   Xp-0dv Chi (‘path’, 0, ‘dv’, False) 2D
875   Xp-1dv Chi (‘path’, 1, ‘dv’, False) 2D
876   Xp-2dv Chi (‘path’, 2, ‘dv’, False) 2D
877   Xp-3dv Chi (‘path’, 3, ‘dv’, False) 2D
878   Xp-4dv Chi (‘path’, 4, ‘dv’, False) 2D
879   Xp-5dv Chi (‘path’, 5, ‘dv’, False) 2D
880   Xp-6dv Chi (‘path’, 6, ‘dv’, False) 2D
881   Xp-7dv Chi (‘path’, 7, ‘dv’, False) 2D
882   AXp-0dv Chi (‘path’, 0, ‘dv’, True) 2D
883   AXp-1dv Chi (‘path’, 1, ‘dv’, True) 2D
884   AXp-2dv Chi (‘path’, 2, ‘dv’, True) 2D
885   AXp-3dv Chi (‘path’, 3, ‘dv’, True) 2D
886   AXp-4dv Chi (‘path’, 4, ‘dv’, True) 2D
887   AXp-5dv Chi (‘path’, 5, ‘dv’, True) 2D
888   AXp-6dv Chi (‘path’, 6, ‘dv’, True) 2D
889   AXp-7dv Chi (‘path’, 7, ‘dv’, True) 2D
890 Constitutional Spe ConstitutionalSum (‘pe’) 2D
891   Sp ConstitutionalSum (‘p’) 2D
892   Sv ConstitutionalSum (‘v’) 2D
893   Sse ConstitutionalSum (‘se’) 2D
894   Si ConstitutionalSum (‘i’) 2D
895   Sare ConstitutionalSum (‘are’) 2D
896   Sm ConstitutionalSum (‘m’) 2D
897   SZ ConstitutionalSum (‘Z’) 2D
898   Mpe ConstitutionalMean (‘pe’) 2D
899   Mp ConstitutionalMean (‘p’) 2D
900   Mv ConstitutionalMean (‘v’) 2D
901   Mse ConstitutionalMean (‘se’) 2D
902   Mi ConstitutionalMean (‘i’) 2D
903   Mare ConstitutionalMean (‘are’) 2D
904   Mm ConstitutionalMean (‘m’) 2D
905   MZ ConstitutionalMean (‘Z’) 2D
906 DetourMatrix SpAbs_Dt DetourMatrix (‘SpAbs’) 2D
907   SpMax_Dt DetourMatrix (‘SpMax’) 2D
908   SpDiam_Dt DetourMatrix (‘SpDiam’) 2D
909   SpAD_Dt DetourMatrix (‘SpAD’) 2D
910   SpMAD_Dt DetourMatrix (‘SpMAD’) 2D
911   LogEE_Dt DetourMatrix (‘LogEE’) 2D
912   SM1_Dt DetourMatrix (‘SM1’) 2D
913   VE1_Dt DetourMatrix (‘VE1’) 2D
914   VE2_Dt DetourMatrix (‘VE2’) 2D
915   VE3_Dt DetourMatrix (‘VE3’) 2D
916   VR1_Dt DetourMatrix (‘VR1’) 2D
917   VR2_Dt DetourMatrix (‘VR2’) 2D
918   VR3_Dt DetourMatrix (‘VR3’) 2D
919   DetourIndex DetourIndex () 2D
920 DistanceMatrix SpAbs_D DistanceMatrix (‘SpAbs’) 2D
921   SpMax_D DistanceMatrix (‘SpMax’) 2D
922   SpDiam_D DistanceMatrix (‘SpDiam’) 2D
923   SpAD_D DistanceMatrix (‘SpAD’) 2D
924   SpMAD_D DistanceMatrix (‘SpMAD’) 2D
925   LogEE_D DistanceMatrix (‘LogEE’) 2D
926   SM1_D DistanceMatrix (‘SM1’) 2D
927   VE1_D DistanceMatrix (‘VE1’) 2D
928   VE2_D DistanceMatrix (‘VE2’) 2D
929   VE3_D DistanceMatrix (‘VE3’) 2D
930   VR1_D DistanceMatrix (‘VR1’) 2D
931   VR2_D DistanceMatrix (‘VR2’) 2D
932   VR3_D DistanceMatrix (‘VR3’) 2D
933 EState NsLi AtomTypeEState (‘count’, ‘sLi’) 2D
934   NssBe AtomTypeEState (‘count’, ‘ssBe’) 2D
935   NssssBe AtomTypeEState (‘count’, ‘ssssBe’) 2D
936   NssBH AtomTypeEState (‘count’, ‘ssBH’) 2D
937   NsssB AtomTypeEState (‘count’, ‘sssB’) 2D
938   NssssB AtomTypeEState (‘count’, ‘ssssB’) 2D
939   NsCH3 AtomTypeEState (‘count’, ‘sCH3’) 2D
940   NdCH2 AtomTypeEState (‘count’, ‘dCH2’) 2D
941   NssCH2 AtomTypeEState (‘count’, ‘ssCH2’) 2D
942   NtCH AtomTypeEState (‘count’, ‘tCH’) 2D
943   NdsCH AtomTypeEState (‘count’, ‘dsCH’) 2D
944   NaaCH AtomTypeEState (‘count’, ‘aaCH’) 2D
945   NsssCH AtomTypeEState (‘count’, ‘sssCH’) 2D
946   NddC AtomTypeEState (‘count’, ‘ddC’) 2D
947   NtsC AtomTypeEState (‘count’, ‘tsC’) 2D
948   NdssC AtomTypeEState (‘count’, ‘dssC’) 2D
949   NaasC AtomTypeEState (‘count’, ‘aasC’) 2D
950   NaaaC AtomTypeEState (‘count’, ‘aaaC’) 2D
951   NssssC AtomTypeEState (‘count’, ‘ssssC’) 2D
952   NsNH3 AtomTypeEState (‘count’, ‘sNH3’) 2D
953   NsNH2 AtomTypeEState (‘count’, ‘sNH2’) 2D
954   NssNH2 AtomTypeEState (‘count’, ‘ssNH2’) 2D
955   NdNH AtomTypeEState (‘count’, ‘dNH’) 2D
956   NssNH AtomTypeEState (‘count’, ‘ssNH’) 2D
957   NaaNH AtomTypeEState (‘count’, ‘aaNH’) 2D
958   NtN AtomTypeEState (‘count’, ‘tN’) 2D
959   NsssNH AtomTypeEState (‘count’, ‘sssNH’) 2D
960   NdsN AtomTypeEState (‘count’, ‘dsN’) 2D
961   NaaN AtomTypeEState (‘count’, ‘aaN’) 2D
962   NsssN AtomTypeEState (‘count’, ‘sssN’) 2D
963   NddsN AtomTypeEState (‘count’, ‘ddsN’) 2D
964   NaasN AtomTypeEState (‘count’, ‘aasN’) 2D
965   NssssN AtomTypeEState (‘count’, ‘ssssN’) 2D
966   NsOH AtomTypeEState (‘count’, ‘sOH’) 2D
967   NdO AtomTypeEState (‘count’, ‘dO’) 2D
968   NssO AtomTypeEState (‘count’, ‘ssO’) 2D
969   NaaO AtomTypeEState (‘count’, ‘aaO’) 2D
970   NsF AtomTypeEState (‘count’, ‘sF’) 2D
971   NsSiH3 AtomTypeEState (‘count’, ‘sSiH3’) 2D
972   NssSiH2 AtomTypeEState (‘count’, ‘ssSiH2’) 2D
973   NsssSiH AtomTypeEState (‘count’, ‘sssSiH’) 2D
974   NssssSi AtomTypeEState (‘count’, ‘ssssSi’) 2D
975   NsPH2 AtomTypeEState (‘count’, ‘sPH2’) 2D
976   NssPH AtomTypeEState (‘count’, ‘ssPH’) 2D
977   NsssP AtomTypeEState (‘count’, ‘sssP’) 2D
978   NdsssP AtomTypeEState (‘count’, ‘dsssP’) 2D
979   NsssssP AtomTypeEState (‘count’, ‘sssssP’) 2D
980   NsSH AtomTypeEState (‘count’, ‘sSH’) 2D
981   NdS AtomTypeEState (‘count’, ‘dS’) 2D
982   NssS AtomTypeEState (‘count’, ‘ssS’) 2D
983   NaaS AtomTypeEState (‘count’, ‘aaS’) 2D
984   NdssS AtomTypeEState (‘count’, ‘dssS’) 2D
985   NddssS AtomTypeEState (‘count’, ‘ddssS’) 2D
986   NsCl AtomTypeEState (‘count’, ‘sCl’) 2D
987   NsGeH3 AtomTypeEState (‘count’, ‘sGeH3’) 2D
988   NssGeH2 AtomTypeEState (‘count’, ‘ssGeH2’) 2D
989   NsssGeH AtomTypeEState (‘count’, ‘sssGeH’) 2D
990   NssssGe AtomTypeEState (‘count’, ‘ssssGe’) 2D
991   NsAsH2 AtomTypeEState (‘count’, ‘sAsH2’) 2D
992   NssAsH AtomTypeEState (‘count’, ‘ssAsH’) 2D
993   NsssAs AtomTypeEState (‘count’, ‘sssAs’) 2D
994   NsssdAs AtomTypeEState (‘count’, ‘sssdAs’) 2D
995   NsssssAs AtomTypeEState (‘count’, ‘sssssAs’) 2D
996   NsSeH AtomTypeEState (‘count’, ‘sSeH’) 2D
997   NdSe AtomTypeEState (‘count’, ‘dSe’) 2D
998   NssSe AtomTypeEState (‘count’, ‘ssSe’) 2D
999   NaaSe AtomTypeEState (‘count’, ‘aaSe’) 2D
1000   NdssSe AtomTypeEState (‘count’, ‘dssSe’) 2D
1001   NddssSe AtomTypeEState (‘count’, ‘ddssSe’) 2D
1002   NsBr AtomTypeEState (‘count’, ‘sBr’) 2D
1003   NsSnH3 AtomTypeEState (‘count’, ‘sSnH3’) 2D
1004   NssSnH2 AtomTypeEState (‘count’, ‘ssSnH2’) 2D
1005   NsssSnH AtomTypeEState (‘count’, ‘sssSnH’) 2D
1006   NssssSn AtomTypeEState (‘count’, ‘ssssSn’) 2D
1007   NsI AtomTypeEState (‘count’, ‘sI’) 2D
1008   NsPbH3 AtomTypeEState (‘count’, ‘sPbH3’) 2D
1009   NssPbH2 AtomTypeEState (‘count’, ‘ssPbH2’) 2D
1010   NsssPbH AtomTypeEState (‘count’, ‘sssPbH’) 2D
1011   NssssPb AtomTypeEState (‘count’, ‘ssssPb’) 2D
1012   SsLi AtomTypeEState (‘sum’, ‘sLi’) 2D
1013   SssBe AtomTypeEState (‘sum’, ‘ssBe’) 2D
1014   SssssBe AtomTypeEState (‘sum’, ‘ssssBe’) 2D
1015   SssBH AtomTypeEState (‘sum’, ‘ssBH’) 2D
1016   SsssB AtomTypeEState (‘sum’, ‘sssB’) 2D
1017   SssssB AtomTypeEState (‘sum’, ‘ssssB’) 2D
1018   SsCH3 AtomTypeEState (‘sum’, ‘sCH3’) 2D
1019   SdCH2 AtomTypeEState (‘sum’, ‘dCH2’) 2D
1020   SssCH2 AtomTypeEState (‘sum’, ‘ssCH2’) 2D
1021   StCH AtomTypeEState (‘sum’, ‘tCH’) 2D
1022   SdsCH AtomTypeEState (‘sum’, ‘dsCH’) 2D
1023   SaaCH AtomTypeEState (‘sum’, ‘aaCH’) 2D
1024   SsssCH AtomTypeEState (‘sum’, ‘sssCH’) 2D
1025   SddC AtomTypeEState (‘sum’, ‘ddC’) 2D
1026   StsC AtomTypeEState (‘sum’, ‘tsC’) 2D
1027   SdssC AtomTypeEState (‘sum’, ‘dssC’) 2D
1028   SaasC AtomTypeEState (‘sum’, ‘aasC’) 2D
1029   SaaaC AtomTypeEState (‘sum’, ‘aaaC’) 2D
1030   SssssC AtomTypeEState (‘sum’, ‘ssssC’) 2D
1031   SsNH3 AtomTypeEState (‘sum’, ‘sNH3’) 2D
1032   SsNH2 AtomTypeEState (‘sum’, ‘sNH2’) 2D
1033   SssNH2 AtomTypeEState (‘sum’, ‘ssNH2’) 2D
1034   SdNH AtomTypeEState (‘sum’, ‘dNH’) 2D
1035   SssNH AtomTypeEState (‘sum’, ‘ssNH’) 2D
1036   SaaNH AtomTypeEState (‘sum’, ‘aaNH’) 2D
1037   StN AtomTypeEState (‘sum’, ‘tN’) 2D
1038   SsssNH AtomTypeEState (‘sum’, ‘sssNH’) 2D
1039   SdsN AtomTypeEState (‘sum’, ‘dsN’) 2D
1040   SaaN AtomTypeEState (‘sum’, ‘aaN’) 2D
1041   SsssN AtomTypeEState (‘sum’, ‘sssN’) 2D
1042   SddsN AtomTypeEState (‘sum’, ‘ddsN’) 2D
1043   SaasN AtomTypeEState (‘sum’, ‘aasN’) 2D
1044   SssssN AtomTypeEState (‘sum’, ‘ssssN’) 2D
1045   SsOH AtomTypeEState (‘sum’, ‘sOH’) 2D
1046   SdO AtomTypeEState (‘sum’, ‘dO’) 2D
1047   SssO AtomTypeEState (‘sum’, ‘ssO’) 2D
1048   SaaO AtomTypeEState (‘sum’, ‘aaO’) 2D
1049   SsF AtomTypeEState (‘sum’, ‘sF’) 2D
1050   SsSiH3 AtomTypeEState (‘sum’, ‘sSiH3’) 2D
1051   SssSiH2 AtomTypeEState (‘sum’, ‘ssSiH2’) 2D
1052   SsssSiH AtomTypeEState (‘sum’, ‘sssSiH’) 2D
1053   SssssSi AtomTypeEState (‘sum’, ‘ssssSi’) 2D
1054   SsPH2 AtomTypeEState (‘sum’, ‘sPH2’) 2D
1055   SssPH AtomTypeEState (‘sum’, ‘ssPH’) 2D
1056   SsssP AtomTypeEState (‘sum’, ‘sssP’) 2D
1057   SdsssP AtomTypeEState (‘sum’, ‘dsssP’) 2D
1058   SsssssP AtomTypeEState (‘sum’, ‘sssssP’) 2D
1059   SsSH AtomTypeEState (‘sum’, ‘sSH’) 2D
1060   SdS AtomTypeEState (‘sum’, ‘dS’) 2D
1061   SssS AtomTypeEState (‘sum’, ‘ssS’) 2D
1062   SaaS AtomTypeEState (‘sum’, ‘aaS’) 2D
1063   SdssS AtomTypeEState (‘sum’, ‘dssS’) 2D
1064   SddssS AtomTypeEState (‘sum’, ‘ddssS’) 2D
1065   SsCl AtomTypeEState (‘sum’, ‘sCl’) 2D
1066   SsGeH3 AtomTypeEState (‘sum’, ‘sGeH3’) 2D
1067   SssGeH2 AtomTypeEState (‘sum’, ‘ssGeH2’) 2D
1068   SsssGeH AtomTypeEState (‘sum’, ‘sssGeH’) 2D
1069   SssssGe AtomTypeEState (‘sum’, ‘ssssGe’) 2D
1070   SsAsH2 AtomTypeEState (‘sum’, ‘sAsH2’) 2D
1071   SssAsH AtomTypeEState (‘sum’, ‘ssAsH’) 2D
1072   SsssAs AtomTypeEState (‘sum’, ‘sssAs’) 2D
1073   SsssdAs AtomTypeEState (‘sum’, ‘sssdAs’) 2D
1074   SsssssAs AtomTypeEState (‘sum’, ‘sssssAs’) 2D
1075   SsSeH AtomTypeEState (‘sum’, ‘sSeH’) 2D
1076   SdSe AtomTypeEState (‘sum’, ‘dSe’) 2D
1077   SssSe AtomTypeEState (‘sum’, ‘ssSe’) 2D
1078   SaaSe AtomTypeEState (‘sum’, ‘aaSe’) 2D
1079   SdssSe AtomTypeEState (‘sum’, ‘dssSe’) 2D
1080   SddssSe AtomTypeEState (‘sum’, ‘ddssSe’) 2D
1081   SsBr AtomTypeEState (‘sum’, ‘sBr’) 2D
1082   SsSnH3 AtomTypeEState (‘sum’, ‘sSnH3’) 2D
1083   SssSnH2 AtomTypeEState (‘sum’, ‘ssSnH2’) 2D
1084   SsssSnH AtomTypeEState (‘sum’, ‘sssSnH’) 2D
1085   SssssSn AtomTypeEState (‘sum’, ‘ssssSn’) 2D
1086   SsI AtomTypeEState (‘sum’, ‘sI’) 2D
1087   SsPbH3 AtomTypeEState (‘sum’, ‘sPbH3’) 2D
1088   SssPbH2 AtomTypeEState (‘sum’, ‘ssPbH2’) 2D
1089   SsssPbH AtomTypeEState (‘sum’, ‘sssPbH’) 2D
1090   SssssPb AtomTypeEState (‘sum’, ‘ssssPb’) 2D
1091   MAXsLi AtomTypeEState (‘max’, ‘sLi’) 2D
1092   MAXssBe AtomTypeEState (‘max’, ‘ssBe’) 2D
1093   MAXssssBe AtomTypeEState (‘max’, ‘ssssBe’) 2D
1094   MAXssBH AtomTypeEState (‘max’, ‘ssBH’) 2D
1095   MAXsssB AtomTypeEState (‘max’, ‘sssB’) 2D
1096   MAXssssB AtomTypeEState (‘max’, ‘ssssB’) 2D
1097   MAXsCH3 AtomTypeEState (‘max’, ‘sCH3’) 2D
1098   MAXdCH2 AtomTypeEState (‘max’, ‘dCH2’) 2D
1099   MAXssCH2 AtomTypeEState (‘max’, ‘ssCH2’) 2D
1100   MAXtCH AtomTypeEState (‘max’, ‘tCH’) 2D
1101   MAXdsCH AtomTypeEState (‘max’, ‘dsCH’) 2D
1102   MAXaaCH AtomTypeEState (‘max’, ‘aaCH’) 2D
1103   MAXsssCH AtomTypeEState (‘max’, ‘sssCH’) 2D
1104   MAXddC AtomTypeEState (‘max’, ‘ddC’) 2D
1105   MAXtsC AtomTypeEState (‘max’, ‘tsC’) 2D
1106   MAXdssC AtomTypeEState (‘max’, ‘dssC’) 2D
1107   MAXaasC AtomTypeEState (‘max’, ‘aasC’) 2D
1108   MAXaaaC AtomTypeEState (‘max’, ‘aaaC’) 2D
1109   MAXssssC AtomTypeEState (‘max’, ‘ssssC’) 2D
1110   MAXsNH3 AtomTypeEState (‘max’, ‘sNH3’) 2D
1111   MAXsNH2 AtomTypeEState (‘max’, ‘sNH2’) 2D
1112   MAXssNH2 AtomTypeEState (‘max’, ‘ssNH2’) 2D
1113   MAXdNH AtomTypeEState (‘max’, ‘dNH’) 2D
1114   MAXssNH AtomTypeEState (‘max’, ‘ssNH’) 2D
1115   MAXaaNH AtomTypeEState (‘max’, ‘aaNH’) 2D
1116   MAXtN AtomTypeEState (‘max’, ‘tN’) 2D
1117   MAXsssNH AtomTypeEState (‘max’, ‘sssNH’) 2D
1118   MAXdsN AtomTypeEState (‘max’, ‘dsN’) 2D
1119   MAXaaN AtomTypeEState (‘max’, ‘aaN’) 2D
1120   MAXsssN AtomTypeEState (‘max’, ‘sssN’) 2D
1121   MAXddsN AtomTypeEState (‘max’, ‘ddsN’) 2D
1122   MAXaasN AtomTypeEState (‘max’, ‘aasN’) 2D
1123   MAXssssN AtomTypeEState (‘max’, ‘ssssN’) 2D
1124   MAXsOH AtomTypeEState (‘max’, ‘sOH’) 2D
1125   MAXdO AtomTypeEState (‘max’, ‘dO’) 2D
1126   MAXssO AtomTypeEState (‘max’, ‘ssO’) 2D
1127   MAXaaO AtomTypeEState (‘max’, ‘aaO’) 2D
1128   MAXsF AtomTypeEState (‘max’, ‘sF’) 2D
1129   MAXsSiH3 AtomTypeEState (‘max’, ‘sSiH3’) 2D
1130   MAXssSiH2 AtomTypeEState (‘max’, ‘ssSiH2’) 2D
1131   MAXsssSiH AtomTypeEState (‘max’, ‘sssSiH’) 2D
1132   MAXssssSi AtomTypeEState (‘max’, ‘ssssSi’) 2D
1133   MAXsPH2 AtomTypeEState (‘max’, ‘sPH2’) 2D
1134   MAXssPH AtomTypeEState (‘max’, ‘ssPH’) 2D
1135   MAXsssP AtomTypeEState (‘max’, ‘sssP’) 2D
1136   MAXdsssP AtomTypeEState (‘max’, ‘dsssP’) 2D
1137   MAXsssssP AtomTypeEState (‘max’, ‘sssssP’) 2D
1138   MAXsSH AtomTypeEState (‘max’, ‘sSH’) 2D
1139   MAXdS AtomTypeEState (‘max’, ‘dS’) 2D
1140   MAXssS AtomTypeEState (‘max’, ‘ssS’) 2D
1141   MAXaaS AtomTypeEState (‘max’, ‘aaS’) 2D
1142   MAXdssS AtomTypeEState (‘max’, ‘dssS’) 2D
1143   MAXddssS AtomTypeEState (‘max’, ‘ddssS’) 2D
1144   MAXsCl AtomTypeEState (‘max’, ‘sCl’) 2D
1145   MAXsGeH3 AtomTypeEState (‘max’, ‘sGeH3’) 2D
1146   MAXssGeH2 AtomTypeEState (‘max’, ‘ssGeH2’) 2D
1147   MAXsssGeH AtomTypeEState (‘max’, ‘sssGeH’) 2D
1148   MAXssssGe AtomTypeEState (‘max’, ‘ssssGe’) 2D
1149   MAXsAsH2 AtomTypeEState (‘max’, ‘sAsH2’) 2D
1150   MAXssAsH AtomTypeEState (‘max’, ‘ssAsH’) 2D
1151   MAXsssAs AtomTypeEState (‘max’, ‘sssAs’) 2D
1152   MAXsssdAs AtomTypeEState (‘max’, ‘sssdAs’) 2D
1153   MAXsssssAs AtomTypeEState (‘max’, ‘sssssAs’) 2D
1154   MAXsSeH AtomTypeEState (‘max’, ‘sSeH’) 2D
1155   MAXdSe AtomTypeEState (‘max’, ‘dSe’) 2D
1156   MAXssSe AtomTypeEState (‘max’, ‘ssSe’) 2D
1157   MAXaaSe AtomTypeEState (‘max’, ‘aaSe’) 2D
1158   MAXdssSe AtomTypeEState (‘max’, ‘dssSe’) 2D
1159   MAXddssSe AtomTypeEState (‘max’, ‘ddssSe’) 2D
1160   MAXsBr AtomTypeEState (‘max’, ‘sBr’) 2D
1161   MAXsSnH3 AtomTypeEState (‘max’, ‘sSnH3’) 2D
1162   MAXssSnH2 AtomTypeEState (‘max’, ‘ssSnH2’) 2D
1163   MAXsssSnH AtomTypeEState (‘max’, ‘sssSnH’) 2D
1164   MAXssssSn AtomTypeEState (‘max’, ‘ssssSn’) 2D
1165   MAXsI AtomTypeEState (‘max’, ‘sI’) 2D
1166   MAXsPbH3 AtomTypeEState (‘max’, ‘sPbH3’) 2D
1167   MAXssPbH2 AtomTypeEState (‘max’, ‘ssPbH2’) 2D
1168   MAXsssPbH AtomTypeEState (‘max’, ‘sssPbH’) 2D
1169   MAXssssPb AtomTypeEState (‘max’, ‘ssssPb’) 2D
1170   MINsLi AtomTypeEState (‘min’, ‘sLi’) 2D
1171   MINssBe AtomTypeEState (‘min’, ‘ssBe’) 2D
1172   MINssssBe AtomTypeEState (‘min’, ‘ssssBe’) 2D
1173   MINssBH AtomTypeEState (‘min’, ‘ssBH’) 2D
1174   MINsssB AtomTypeEState (‘min’, ‘sssB’) 2D
1175   MINssssB AtomTypeEState (‘min’, ‘ssssB’) 2D
1176   MINsCH3 AtomTypeEState (‘min’, ‘sCH3’) 2D
1177   MINdCH2 AtomTypeEState (‘min’, ‘dCH2’) 2D
1178   MINssCH2 AtomTypeEState (‘min’, ‘ssCH2’) 2D
1179   MINtCH AtomTypeEState (‘min’, ‘tCH’) 2D
1180   MINdsCH AtomTypeEState (‘min’, ‘dsCH’) 2D
1181   MINaaCH AtomTypeEState (‘min’, ‘aaCH’) 2D
1182   MINsssCH AtomTypeEState (‘min’, ‘sssCH’) 2D
1183   MINddC AtomTypeEState (‘min’, ‘ddC’) 2D
1184   MINtsC AtomTypeEState (‘min’, ‘tsC’) 2D
1185   MINdssC AtomTypeEState (‘min’, ‘dssC’) 2D
1186   MINaasC AtomTypeEState (‘min’, ‘aasC’) 2D
1187   MINaaaC AtomTypeEState (‘min’, ‘aaaC’) 2D
1188   MINssssC AtomTypeEState (‘min’, ‘ssssC’) 2D
1189   MINsNH3 AtomTypeEState (‘min’, ‘sNH3’) 2D
1190   MINsNH2 AtomTypeEState (‘min’, ‘sNH2’) 2D
1191   MINssNH2 AtomTypeEState (‘min’, ‘ssNH2’) 2D
1192   MINdNH AtomTypeEState (‘min’, ‘dNH’) 2D
1193   MINssNH AtomTypeEState (‘min’, ‘ssNH’) 2D
1194   MINaaNH AtomTypeEState (‘min’, ‘aaNH’) 2D
1195   MINtN AtomTypeEState (‘min’, ‘tN’) 2D
1196   MINsssNH AtomTypeEState (‘min’, ‘sssNH’) 2D
1197   MINdsN AtomTypeEState (‘min’, ‘dsN’) 2D
1198   MINaaN AtomTypeEState (‘min’, ‘aaN’) 2D
1199   MINsssN AtomTypeEState (‘min’, ‘sssN’) 2D
1200   MINddsN AtomTypeEState (‘min’, ‘ddsN’) 2D
1201   MINaasN AtomTypeEState (‘min’, ‘aasN’) 2D
1202   MINssssN AtomTypeEState (‘min’, ‘ssssN’) 2D
1203   MINsOH AtomTypeEState (‘min’, ‘sOH’) 2D
1204   MINdO AtomTypeEState (‘min’, ‘dO’) 2D
1205   MINssO AtomTypeEState (‘min’, ‘ssO’) 2D
1206   MINaaO AtomTypeEState (‘min’, ‘aaO’) 2D
1207   MINsF AtomTypeEState (‘min’, ‘sF’) 2D
1208   MINsSiH3 AtomTypeEState (‘min’, ‘sSiH3’) 2D
1209   MINssSiH2 AtomTypeEState (‘min’, ‘ssSiH2’) 2D
1210   MINsssSiH AtomTypeEState (‘min’, ‘sssSiH’) 2D
1211   MINssssSi AtomTypeEState (‘min’, ‘ssssSi’) 2D
1212   MINsPH2 AtomTypeEState (‘min’, ‘sPH2’) 2D
1213   MINssPH AtomTypeEState (‘min’, ‘ssPH’) 2D
1214   MINsssP AtomTypeEState (‘min’, ‘sssP’) 2D
1215   MINdsssP AtomTypeEState (‘min’, ‘dsssP’) 2D
1216   MINsssssP AtomTypeEState (‘min’, ‘sssssP’) 2D
1217   MINsSH AtomTypeEState (‘min’, ‘sSH’) 2D
1218   MINdS AtomTypeEState (‘min’, ‘dS’) 2D
1219   MINssS AtomTypeEState (‘min’, ‘ssS’) 2D
1220   MINaaS AtomTypeEState (‘min’, ‘aaS’) 2D
1221   MINdssS AtomTypeEState (‘min’, ‘dssS’) 2D
1222   MINddssS AtomTypeEState (‘min’, ‘ddssS’) 2D
1223   MINsCl AtomTypeEState (‘min’, ‘sCl’) 2D
1224   MINsGeH3 AtomTypeEState (‘min’, ‘sGeH3’) 2D
1225   MINssGeH2 AtomTypeEState (‘min’, ‘ssGeH2’) 2D
1226   MINsssGeH AtomTypeEState (‘min’, ‘sssGeH’) 2D
1227   MINssssGe AtomTypeEState (‘min’, ‘ssssGe’) 2D
1228   MINsAsH2 AtomTypeEState (‘min’, ‘sAsH2’) 2D
1229   MINssAsH AtomTypeEState (‘min’, ‘ssAsH’) 2D
1230   MINsssAs AtomTypeEState (‘min’, ‘sssAs’) 2D
1231   MINsssdAs AtomTypeEState (‘min’, ‘sssdAs’) 2D
1232   MINsssssAs AtomTypeEState (‘min’, ‘sssssAs’) 2D
1233   MINsSeH AtomTypeEState (‘min’, ‘sSeH’) 2D
1234   MINdSe AtomTypeEState (‘min’, ‘dSe’) 2D
1235   MINssSe AtomTypeEState (‘min’, ‘ssSe’) 2D
1236   MINaaSe AtomTypeEState (‘min’, ‘aaSe’) 2D
1237   MINdssSe AtomTypeEState (‘min’, ‘dssSe’) 2D
1238   MINddssSe AtomTypeEState (‘min’, ‘ddssSe’) 2D
1239   MINsBr AtomTypeEState (‘min’, ‘sBr’) 2D
1240   MINsSnH3 AtomTypeEState (‘min’, ‘sSnH3’) 2D
1241   MINssSnH2 AtomTypeEState (‘min’, ‘ssSnH2’) 2D
1242   MINsssSnH AtomTypeEState (‘min’, ‘sssSnH’) 2D
1243   MINssssSn AtomTypeEState (‘min’, ‘ssssSn’) 2D
1244   MINsI AtomTypeEState (‘min’, ‘sI’) 2D
1245   MINsPbH3 AtomTypeEState (‘min’, ‘sPbH3’) 2D
1246   MINssPbH2 AtomTypeEState (‘min’, ‘ssPbH2’) 2D
1247   MINsssPbH AtomTypeEState (‘min’, ‘sssPbH’) 2D
1248   MINssssPb AtomTypeEState (‘min’, ‘ssssPb’) 2D
1249 EccentricConnectivityIndex ECIndex EccentricConnectivityIndex () 2D
1250 ExtendedTopochemicalAtom ETA_alpha EtaCoreCount (False, False) 2D
1251   AETA_alpha EtaCoreCount (True, False) 2D
1252   ETA_shape_p EtaShapeIndex (‘p’) 2D
1253   ETA_shape_y EtaShapeIndex (‘y’) 2D
1254   ETA_shape_x EtaShapeIndex (‘x’) 2D
1255   ETA_beta EtaVEMCount (‘’, False) 2D
1256   AETA_beta EtaVEMCount (‘’, True) 2D
1257   ETA_beta_s EtaVEMCount (‘s’, False) 2D
1258   AETA_beta_s EtaVEMCount (‘s’, True) 2D
1259   ETA_beta_ns EtaVEMCount (‘ns’, False) 2D
1260   AETA_beta_ns EtaVEMCount (‘ns’, True) 2D
1261   ETA_beta_ns_d EtaVEMCount (‘ns_d’, False) 2D
1262   AETA_beta_ns_d EtaVEMCount (‘ns_d’, True) 2D
1263   ETA_eta EtaCompositeIndex (False, False, False) 2D
1264   AETA_eta EtaCompositeIndex (False, False, True) 2D
1265   ETA_eta_L EtaCompositeIndex (False, True, False) 2D
1266   AETA_eta_L EtaCompositeIndex (False, True, True) 2D
1267   ETA_eta_R EtaCompositeIndex (True, False, False) 2D
1268   AETA_eta_R EtaCompositeIndex (True, False, True) 2D
1269   ETA_eta_RL EtaCompositeIndex (True, True, False) 2D
1270   AETA_eta_RL EtaCompositeIndex (True, True, True) 2D
1271   ETA_eta_F EtaFunctionalityIndex (False, False) 2D
1272   AETA_eta_F EtaFunctionalityIndex (False, True) 2D
1273   ETA_eta_FL EtaFunctionalityIndex (True, False) 2D
1274   AETA_eta_FL EtaFunctionalityIndex (True, True) 2D
1275   ETA_eta_B EtaBranchingIndex (False, False) 2D
1276   AETA_eta_B EtaBranchingIndex (False, True) 2D
1277   ETA_eta_BR EtaBranchingIndex (True, False) 2D
1278   AETA_eta_BR EtaBranchingIndex (True, True) 2D
1279   ETA_dAlpha_A EtaDeltaAlpha (‘A’) 2D
1280   ETA_dAlpha_B EtaDeltaAlpha (‘B’) 2D
1281   ETA_epsilon_1 EtaEpsilon (1) 2D
1282   ETA_epsilon_2 EtaEpsilon (2) 2D
1283   ETA_epsilon_3 EtaEpsilon (3) 2D
1284   ETA_epsilon_4 EtaEpsilon (4) 2D
1285   ETA_epsilon_5 EtaEpsilon (5) 2D
1286   ETA_dEpsilon_A EtaDeltaEpsilon (‘A’) 2D
1287   ETA_dEpsilon_B EtaDeltaEpsilon (‘B’) 2D
1288   ETA_dEpsilon_C EtaDeltaEpsilon (‘C’) 2D
1289   ETA_dEpsilon_D EtaDeltaEpsilon (‘D’) 2D
1290   ETA_dBeta EtaDeltaBeta (False) 2D
1291   AETA_dBeta EtaDeltaBeta (True) 2D
1292   ETA_psi_1 EtaPsi () 2D
1293   ETA_dPsi_A EtaDeltaPsi (‘A’) 2D
1294   ETA_dPsi_B EtaDeltaPsi (‘B’) 2D
1295 FragmentComplexity fragCpx FragmentComplexity () 2D
1296 Framework fMF Framework () 2D
1297 GeometricalIndex GeomRadius Radius3D () 3D
1298   GeomDiameter Diameter3D () 3D
1299   GeomShapeIndex GeometricalShapeIndex () 3D
1300   GeomPetitjeanIndex PetitjeanIndex3D () 3D
1301 GravitationalIndex GRAV GravitationalIndex (True, False) 3D
1302   GRAVH GravitationalIndex (False, False) 3D
1303   GRAVp GravitationalIndex (True, True) 3D
1304   GRAVHp GravitationalIndex (False, True) 3D
1305 HydrogenBond nHBAcc HBondAcceptor () 2D
1306   nHBDon HBondDonor () 2D
1307 InformationContent IC0 InformationContent (0) 2D
1308   IC1 InformationContent (1) 2D
1309   IC2 InformationContent (2) 2D
1310   IC3 InformationContent (3) 2D
1311   IC4 InformationContent (4) 2D
1312   IC5 InformationContent (5) 2D
1313   TIC0 TotalIC (0) 2D
1314   TIC1 TotalIC (1) 2D
1315   TIC2 TotalIC (2) 2D
1316   TIC3 TotalIC (3) 2D
1317   TIC4 TotalIC (4) 2D
1318   TIC5 TotalIC (5) 2D
1319   SIC0 StructuralIC (0) 2D
1320   SIC1 StructuralIC (1) 2D
1321   SIC2 StructuralIC (2) 2D
1322   SIC3 StructuralIC (3) 2D
1323   SIC4 StructuralIC (4) 2D
1324   SIC5 StructuralIC (5) 2D
1325   BIC0 BondingIC (0) 2D
1326   BIC1 BondingIC (1) 2D
1327   BIC2 BondingIC (2) 2D
1328   BIC3 BondingIC (3) 2D
1329   BIC4 BondingIC (4) 2D
1330   BIC5 BondingIC (5) 2D
1331   CIC0 ComplementaryIC (0) 2D
1332   CIC1 ComplementaryIC (1) 2D
1333   CIC2 ComplementaryIC (2) 2D
1334   CIC3 ComplementaryIC (3) 2D
1335   CIC4 ComplementaryIC (4) 2D
1336   CIC5 ComplementaryIC (5) 2D
1337   MIC0 ModifiedIC (0) 2D
1338   MIC1 ModifiedIC (1) 2D
1339   MIC2 ModifiedIC (2) 2D
1340   MIC3 ModifiedIC (3) 2D
1341   MIC4 ModifiedIC (4) 2D
1342   MIC5 ModifiedIC (5) 2D
1343   ZMIC0 ZModifiedIC (0) 2D
1344   ZMIC1 ZModifiedIC (1) 2D
1345   ZMIC2 ZModifiedIC (2) 2D
1346   ZMIC3 ZModifiedIC (3) 2D
1347   ZMIC4 ZModifiedIC (4) 2D
1348   ZMIC5 ZModifiedIC (5) 2D
1349 KappaShapeIndex Kier1 KappaShapeIndex1 () 2D
1350   Kier2 KappaShapeIndex2 () 2D
1351   Kier3 KappaShapeIndex3 () 2D
1352 Lipinski Lipinski Lipinski () 2D
1353   GhoseFilter GhoseFilter () 2D
1354 McGowanVolume VMcGowan McGowanVolume () 2D
1355 MoRSE Mor01 MoRSE (None, 1) 3D
1356   Mor02 MoRSE (None, 2) 3D
1357   Mor03 MoRSE (None, 3) 3D
1358   Mor04 MoRSE (None, 4) 3D
1359   Mor05 MoRSE (None, 5) 3D
1360   Mor06 MoRSE (None, 6) 3D
1361   Mor07 MoRSE (None, 7) 3D
1362   Mor08 MoRSE (None, 8) 3D
1363   Mor09 MoRSE (None, 9) 3D
1364   Mor10 MoRSE (None, 10) 3D
1365   Mor11 MoRSE (None, 11) 3D
1366   Mor12 MoRSE (None, 12) 3D
1367   Mor13 MoRSE (None, 13) 3D
1368   Mor14 MoRSE (None, 14) 3D
1369   Mor15 MoRSE (None, 15) 3D
1370   Mor16 MoRSE (None, 16) 3D
1371   Mor17 MoRSE (None, 17) 3D
1372   Mor18 MoRSE (None, 18) 3D
1373   Mor19 MoRSE (None, 19) 3D
1374   Mor20 MoRSE (None, 20) 3D
1375   Mor21 MoRSE (None, 21) 3D
1376   Mor22 MoRSE (None, 22) 3D
1377   Mor23 MoRSE (None, 23) 3D
1378   Mor24 MoRSE (None, 24) 3D
1379   Mor25 MoRSE (None, 25) 3D
1380   Mor26 MoRSE (None, 26) 3D
1381   Mor27 MoRSE (None, 27) 3D
1382   Mor28 MoRSE (None, 28) 3D
1383   Mor29 MoRSE (None, 29) 3D
1384   Mor30 MoRSE (None, 30) 3D
1385   Mor31 MoRSE (None, 31) 3D
1386   Mor32 MoRSE (None, 32) 3D
1387   Mor01m MoRSE (‘m’, 1) 3D
1388   Mor02m MoRSE (‘m’, 2) 3D
1389   Mor03m MoRSE (‘m’, 3) 3D
1390   Mor04m MoRSE (‘m’, 4) 3D
1391   Mor05m MoRSE (‘m’, 5) 3D
1392   Mor06m MoRSE (‘m’, 6) 3D
1393   Mor07m MoRSE (‘m’, 7) 3D
1394   Mor08m MoRSE (‘m’, 8) 3D
1395   Mor09m MoRSE (‘m’, 9) 3D
1396   Mor10m MoRSE (‘m’, 10) 3D
1397   Mor11m MoRSE (‘m’, 11) 3D
1398   Mor12m MoRSE (‘m’, 12) 3D
1399   Mor13m MoRSE (‘m’, 13) 3D
1400   Mor14m MoRSE (‘m’, 14) 3D
1401   Mor15m MoRSE (‘m’, 15) 3D
1402   Mor16m MoRSE (‘m’, 16) 3D
1403   Mor17m MoRSE (‘m’, 17) 3D
1404   Mor18m MoRSE (‘m’, 18) 3D
1405   Mor19m MoRSE (‘m’, 19) 3D
1406   Mor20m MoRSE (‘m’, 20) 3D
1407   Mor21m MoRSE (‘m’, 21) 3D
1408   Mor22m MoRSE (‘m’, 22) 3D
1409   Mor23m MoRSE (‘m’, 23) 3D
1410   Mor24m MoRSE (‘m’, 24) 3D
1411   Mor25m MoRSE (‘m’, 25) 3D
1412   Mor26m MoRSE (‘m’, 26) 3D
1413   Mor27m MoRSE (‘m’, 27) 3D
1414   Mor28m MoRSE (‘m’, 28) 3D
1415   Mor29m MoRSE (‘m’, 29) 3D
1416   Mor30m MoRSE (‘m’, 30) 3D
1417   Mor31m MoRSE (‘m’, 31) 3D
1418   Mor32m MoRSE (‘m’, 32) 3D
1419   Mor01v MoRSE (‘v’, 1) 3D
1420   Mor02v MoRSE (‘v’, 2) 3D
1421   Mor03v MoRSE (‘v’, 3) 3D
1422   Mor04v MoRSE (‘v’, 4) 3D
1423   Mor05v MoRSE (‘v’, 5) 3D
1424   Mor06v MoRSE (‘v’, 6) 3D
1425   Mor07v MoRSE (‘v’, 7) 3D
1426   Mor08v MoRSE (‘v’, 8) 3D
1427   Mor09v MoRSE (‘v’, 9) 3D
1428   Mor10v MoRSE (‘v’, 10) 3D
1429   Mor11v MoRSE (‘v’, 11) 3D
1430   Mor12v MoRSE (‘v’, 12) 3D
1431   Mor13v MoRSE (‘v’, 13) 3D
1432   Mor14v MoRSE (‘v’, 14) 3D
1433   Mor15v MoRSE (‘v’, 15) 3D
1434   Mor16v MoRSE (‘v’, 16) 3D
1435   Mor17v MoRSE (‘v’, 17) 3D
1436   Mor18v MoRSE (‘v’, 18) 3D
1437   Mor19v MoRSE (‘v’, 19) 3D
1438   Mor20v MoRSE (‘v’, 20) 3D
1439   Mor21v MoRSE (‘v’, 21) 3D
1440   Mor22v MoRSE (‘v’, 22) 3D
1441   Mor23v MoRSE (‘v’, 23) 3D
1442   Mor24v MoRSE (‘v’, 24) 3D
1443   Mor25v MoRSE (‘v’, 25) 3D
1444   Mor26v MoRSE (‘v’, 26) 3D
1445   Mor27v MoRSE (‘v’, 27) 3D
1446   Mor28v MoRSE (‘v’, 28) 3D
1447   Mor29v MoRSE (‘v’, 29) 3D
1448   Mor30v MoRSE (‘v’, 30) 3D
1449   Mor31v MoRSE (‘v’, 31) 3D
1450   Mor32v MoRSE (‘v’, 32) 3D
1451   Mor01se MoRSE (‘se’, 1) 3D
1452   Mor02se MoRSE (‘se’, 2) 3D
1453   Mor03se MoRSE (‘se’, 3) 3D
1454   Mor04se MoRSE (‘se’, 4) 3D
1455   Mor05se MoRSE (‘se’, 5) 3D
1456   Mor06se MoRSE (‘se’, 6) 3D
1457   Mor07se MoRSE (‘se’, 7) 3D
1458   Mor08se MoRSE (‘se’, 8) 3D
1459   Mor09se MoRSE (‘se’, 9) 3D
1460   Mor10se MoRSE (‘se’, 10) 3D
1461   Mor11se MoRSE (‘se’, 11) 3D
1462   Mor12se MoRSE (‘se’, 12) 3D
1463   Mor13se MoRSE (‘se’, 13) 3D
1464   Mor14se MoRSE (‘se’, 14) 3D
1465   Mor15se MoRSE (‘se’, 15) 3D
1466   Mor16se MoRSE (‘se’, 16) 3D
1467   Mor17se MoRSE (‘se’, 17) 3D
1468   Mor18se MoRSE (‘se’, 18) 3D
1469   Mor19se MoRSE (‘se’, 19) 3D
1470   Mor20se MoRSE (‘se’, 20) 3D
1471   Mor21se MoRSE (‘se’, 21) 3D
1472   Mor22se MoRSE (‘se’, 22) 3D
1473   Mor23se MoRSE (‘se’, 23) 3D
1474   Mor24se MoRSE (‘se’, 24) 3D
1475   Mor25se MoRSE (‘se’, 25) 3D
1476   Mor26se MoRSE (‘se’, 26) 3D
1477   Mor27se MoRSE (‘se’, 27) 3D
1478   Mor28se MoRSE (‘se’, 28) 3D
1479   Mor29se MoRSE (‘se’, 29) 3D
1480   Mor30se MoRSE (‘se’, 30) 3D
1481   Mor31se MoRSE (‘se’, 31) 3D
1482   Mor32se MoRSE (‘se’, 32) 3D
1483   Mor01p MoRSE (‘p’, 1) 3D
1484   Mor02p MoRSE (‘p’, 2) 3D
1485   Mor03p MoRSE (‘p’, 3) 3D
1486   Mor04p MoRSE (‘p’, 4) 3D
1487   Mor05p MoRSE (‘p’, 5) 3D
1488   Mor06p MoRSE (‘p’, 6) 3D
1489   Mor07p MoRSE (‘p’, 7) 3D
1490   Mor08p MoRSE (‘p’, 8) 3D
1491   Mor09p MoRSE (‘p’, 9) 3D
1492   Mor10p MoRSE (‘p’, 10) 3D
1493   Mor11p MoRSE (‘p’, 11) 3D
1494   Mor12p MoRSE (‘p’, 12) 3D
1495   Mor13p MoRSE (‘p’, 13) 3D
1496   Mor14p MoRSE (‘p’, 14) 3D
1497   Mor15p MoRSE (‘p’, 15) 3D
1498   Mor16p MoRSE (‘p’, 16) 3D
1499   Mor17p MoRSE (‘p’, 17) 3D
1500   Mor18p MoRSE (‘p’, 18) 3D
1501   Mor19p MoRSE (‘p’, 19) 3D
1502   Mor20p MoRSE (‘p’, 20) 3D
1503   Mor21p MoRSE (‘p’, 21) 3D
1504   Mor22p MoRSE (‘p’, 22) 3D
1505   Mor23p MoRSE (‘p’, 23) 3D
1506   Mor24p MoRSE (‘p’, 24) 3D
1507   Mor25p MoRSE (‘p’, 25) 3D
1508   Mor26p MoRSE (‘p’, 26) 3D
1509   Mor27p MoRSE (‘p’, 27) 3D
1510   Mor28p MoRSE (‘p’, 28) 3D
1511   Mor29p MoRSE (‘p’, 29) 3D
1512   Mor30p MoRSE (‘p’, 30) 3D
1513   Mor31p MoRSE (‘p’, 31) 3D
1514   Mor32p MoRSE (‘p’, 32) 3D
1515 MoeType LabuteASA LabuteASA () 2D
1516   PEOE_VSA1 PEOE_VSA (1) 2D
1517   PEOE_VSA2 PEOE_VSA (2) 2D
1518   PEOE_VSA3 PEOE_VSA (3) 2D
1519   PEOE_VSA4 PEOE_VSA (4) 2D
1520   PEOE_VSA5 PEOE_VSA (5) 2D
1521   PEOE_VSA6 PEOE_VSA (6) 2D
1522   PEOE_VSA7 PEOE_VSA (7) 2D
1523   PEOE_VSA8 PEOE_VSA (8) 2D
1524   PEOE_VSA9 PEOE_VSA (9) 2D
1525   PEOE_VSA10 PEOE_VSA (10) 2D
1526   PEOE_VSA11 PEOE_VSA (11) 2D
1527   PEOE_VSA12 PEOE_VSA (12) 2D
1528   PEOE_VSA13 PEOE_VSA (13) 2D
1529   SMR_VSA1 SMR_VSA (1) 2D
1530   SMR_VSA2 SMR_VSA (2) 2D
1531   SMR_VSA3 SMR_VSA (3) 2D
1532   SMR_VSA4 SMR_VSA (4) 2D
1533   SMR_VSA5 SMR_VSA (5) 2D
1534   SMR_VSA6 SMR_VSA (6) 2D
1535   SMR_VSA7 SMR_VSA (7) 2D
1536   SMR_VSA8 SMR_VSA (8) 2D
1537   SMR_VSA9 SMR_VSA (9) 2D
1538   SlogP_VSA1 SlogP_VSA (1) 2D
1539   SlogP_VSA2 SlogP_VSA (2) 2D
1540   SlogP_VSA3 SlogP_VSA (3) 2D
1541   SlogP_VSA4 SlogP_VSA (4) 2D
1542   SlogP_VSA5 SlogP_VSA (5) 2D
1543   SlogP_VSA6 SlogP_VSA (6) 2D
1544   SlogP_VSA7 SlogP_VSA (7) 2D
1545   SlogP_VSA8 SlogP_VSA (8) 2D
1546   SlogP_VSA9 SlogP_VSA (9) 2D
1547   SlogP_VSA10 SlogP_VSA (10) 2D
1548   SlogP_VSA11 SlogP_VSA (11) 2D
1549   EState_VSA1 EState_VSA (1) 2D
1550   EState_VSA2 EState_VSA (2) 2D
1551   EState_VSA3 EState_VSA (3) 2D
1552   EState_VSA4 EState_VSA (4) 2D
1553   EState_VSA5 EState_VSA (5) 2D
1554   EState_VSA6 EState_VSA (6) 2D
1555   EState_VSA7 EState_VSA (7) 2D
1556   EState_VSA8 EState_VSA (8) 2D
1557   EState_VSA9 EState_VSA (9) 2D
1558   EState_VSA10 EState_VSA (10) 2D
1559   VSA_EState1 VSA_EState (1) 2D
1560   VSA_EState2 VSA_EState (2) 2D
1561   VSA_EState3 VSA_EState (3) 2D
1562   VSA_EState4 VSA_EState (4) 2D
1563   VSA_EState5 VSA_EState (5) 2D
1564   VSA_EState6 VSA_EState (6) 2D
1565   VSA_EState7 VSA_EState (7) 2D
1566   VSA_EState8 VSA_EState (8) 2D
1567   VSA_EState9 VSA_EState (9) 2D
1568 MolecularDistanceEdge MDEC-11 MolecularDistanceEdge (1, 1, 6) 2D
1569   MDEC-12 MolecularDistanceEdge (1, 2, 6) 2D
1570   MDEC-13 MolecularDistanceEdge (1, 3, 6) 2D
1571   MDEC-14 MolecularDistanceEdge (1, 4, 6) 2D
1572   MDEC-22 MolecularDistanceEdge (2, 2, 6) 2D
1573   MDEC-23 MolecularDistanceEdge (2, 3, 6) 2D
1574   MDEC-24 MolecularDistanceEdge (2, 4, 6) 2D
1575   MDEC-33 MolecularDistanceEdge (3, 3, 6) 2D
1576   MDEC-34 MolecularDistanceEdge (3, 4, 6) 2D
1577   MDEC-44 MolecularDistanceEdge (4, 4, 6) 2D
1578   MDEO-11 MolecularDistanceEdge (1, 1, 8) 2D
1579   MDEO-12 MolecularDistanceEdge (1, 2, 8) 2D
1580   MDEO-22 MolecularDistanceEdge (2, 2, 8) 2D
1581   MDEN-11 MolecularDistanceEdge (1, 1, 7) 2D
1582   MDEN-12 MolecularDistanceEdge (1, 2, 7) 2D
1583   MDEN-13 MolecularDistanceEdge (1, 3, 7) 2D
1584   MDEN-22 MolecularDistanceEdge (2, 2, 7) 2D
1585   MDEN-23 MolecularDistanceEdge (2, 3, 7) 2D
1586   MDEN-33 MolecularDistanceEdge (3, 3, 7) 2D
1587 MolecularId MID MolecularId (‘any’, False, 1e-10) 2D
1588   AMID MolecularId (‘any’, True, 1e-10) 2D
1589   MID_h MolecularId (‘hetero’, False, 1e-10) 2D
1590   AMID_h MolecularId (‘hetero’, True, 1e-10) 2D
1591   MID_C MolecularId (‘C’, False, 1e-10) 2D
1592   AMID_C MolecularId (‘C’, True, 1e-10) 2D
1593   MID_N MolecularId (‘N’, False, 1e-10) 2D
1594   AMID_N MolecularId (‘N’, True, 1e-10) 2D
1595   MID_O MolecularId (‘O’, False, 1e-10) 2D
1596   AMID_O MolecularId (‘O’, True, 1e-10) 2D
1597   MID_X MolecularId (‘X’, False, 1e-10) 2D
1598   AMID_X MolecularId (‘X’, True, 1e-10) 2D
1599 MomentOfInertia MOMI-X MomentOfInertia (‘X’) 3D
1600   MOMI-Y MomentOfInertia (‘Y’) 3D
1601   MOMI-Z MomentOfInertia (‘Z’) 3D
1602 PathCount MPC2 PathCount (2, False, False, False) 2D
1603   MPC3 PathCount (3, False, False, False) 2D
1604   MPC4 PathCount (4, False, False, False) 2D
1605   MPC5 PathCount (5, False, False, False) 2D
1606   MPC6 PathCount (6, False, False, False) 2D
1607   MPC7 PathCount (7, False, False, False) 2D
1608   MPC8 PathCount (8, False, False, False) 2D
1609   MPC9 PathCount (9, False, False, False) 2D
1610   MPC10 PathCount (10, False, False, False) 2D
1611   TMPC10 PathCount (10, False, True, False) 2D
1612   piPC1 PathCount (1, True, False, True) 2D
1613   piPC2 PathCount (2, True, False, True) 2D
1614   piPC3 PathCount (3, True, False, True) 2D
1615   piPC4 PathCount (4, True, False, True) 2D
1616   piPC5 PathCount (5, True, False, True) 2D
1617   piPC6 PathCount (6, True, False, True) 2D
1618   piPC7 PathCount (7, True, False, True) 2D
1619   piPC8 PathCount (8, True, False, True) 2D
1620   piPC9 PathCount (9, True, False, True) 2D
1621   piPC10 PathCount (10, True, False, True) 2D
1622   TpiPC10 PathCount (10, True, True, True) 2D
1623 Polarizability apol APol (False) 2D
1624   bpol BPol (False) 2D
1625 RingCount nRing RingCount (None, False, False, None, None) 2D
1626   n3Ring RingCount (3, False, False, None, None) 2D
1627   n4Ring RingCount (4, False, False, None, None) 2D
1628   n5Ring RingCount (5, False, False, None, None) 2D
1629   n6Ring RingCount (6, False, False, None, None) 2D
1630   n7Ring RingCount (7, False, False, None, None) 2D
1631   n8Ring RingCount (8, False, False, None, None) 2D
1632   n9Ring RingCount (9, False, False, None, None) 2D
1633   n10Ring RingCount (10, False, False, None, None) 2D
1634   n11Ring RingCount (11, False, False, None, None) 2D
1635   n12Ring RingCount (12, False, False, None, None) 2D
1636   nG12Ring RingCount (12, True, False, None, None) 2D
1637   nHRing RingCount (None, False, False, None, True) 2D
1638   n3HRing RingCount (3, False, False, None, True) 2D
1639   n4HRing RingCount (4, False, False, None, True) 2D
1640   n5HRing RingCount (5, False, False, None, True) 2D
1641   n6HRing RingCount (6, False, False, None, True) 2D
1642   n7HRing RingCount (7, False, False, None, True) 2D
1643   n8HRing RingCount (8, False, False, None, True) 2D
1644   n9HRing RingCount (9, False, False, None, True) 2D
1645   n10HRing RingCount (10, False, False, None, True) 2D
1646   n11HRing RingCount (11, False, False, None, True) 2D
1647   n12HRing RingCount (12, False, False, None, True) 2D
1648   nG12HRing RingCount (12, True, False, None, True) 2D
1649   naRing RingCount (None, False, False, True, None) 2D
1650   n3aRing RingCount (3, False, False, True, None) 2D
1651   n4aRing RingCount (4, False, False, True, None) 2D
1652   n5aRing RingCount (5, False, False, True, None) 2D
1653   n6aRing RingCount (6, False, False, True, None) 2D
1654   n7aRing RingCount (7, False, False, True, None) 2D
1655   n8aRing RingCount (8, False, False, True, None) 2D
1656   n9aRing RingCount (9, False, False, True, None) 2D
1657   n10aRing RingCount (10, False, False, True, None) 2D
1658   n11aRing RingCount (11, False, False, True, None) 2D
1659   n12aRing RingCount (12, False, False, True, None) 2D
1660   nG12aRing RingCount (12, True, False, True, None) 2D
1661   naHRing RingCount (None, False, False, True, True) 2D
1662   n3aHRing RingCount (3, False, False, True, True) 2D
1663   n4aHRing RingCount (4, False, False, True, True) 2D
1664   n5aHRing RingCount (5, False, False, True, True) 2D
1665   n6aHRing RingCount (6, False, False, True, True) 2D
1666   n7aHRing RingCount (7, False, False, True, True) 2D
1667   n8aHRing RingCount (8, False, False, True, True) 2D
1668   n9aHRing RingCount (9, False, False, True, True) 2D
1669   n10aHRing RingCount (10, False, False, True, True) 2D
1670   n11aHRing RingCount (11, False, False, True, True) 2D
1671   n12aHRing RingCount (12, False, False, True, True) 2D
1672   nG12aHRing RingCount (12, True, False, True, True) 2D
1673   nARing RingCount (None, False, False, False, None) 2D
1674   n3ARing RingCount (3, False, False, False, None) 2D
1675   n4ARing RingCount (4, False, False, False, None) 2D
1676   n5ARing RingCount (5, False, False, False, None) 2D
1677   n6ARing RingCount (6, False, False, False, None) 2D
1678   n7ARing RingCount (7, False, False, False, None) 2D
1679   n8ARing RingCount (8, False, False, False, None) 2D
1680   n9ARing RingCount (9, False, False, False, None) 2D
1681   n10ARing RingCount (10, False, False, False, None) 2D
1682   n11ARing RingCount (11, False, False, False, None) 2D
1683   n12ARing RingCount (12, False, False, False, None) 2D
1684   nG12ARing RingCount (12, True, False, False, None) 2D
1685   nAHRing RingCount (None, False, False, False, True) 2D
1686   n3AHRing RingCount (3, False, False, False, True) 2D
1687   n4AHRing RingCount (4, False, False, False, True) 2D
1688   n5AHRing RingCount (5, False, False, False, True) 2D
1689   n6AHRing RingCount (6, False, False, False, True) 2D
1690   n7AHRing RingCount (7, False, False, False, True) 2D
1691   n8AHRing RingCount (8, False, False, False, True) 2D
1692   n9AHRing RingCount (9, False, False, False, True) 2D
1693   n10AHRing RingCount (10, False, False, False, True) 2D
1694   n11AHRing RingCount (11, False, False, False, True) 2D
1695   n12AHRing RingCount (12, False, False, False, True) 2D
1696   nG12AHRing RingCount (12, True, False, False, True) 2D
1697   nFRing RingCount (None, False, True, None, None) 2D
1698   n4FRing RingCount (4, False, True, None, None) 2D
1699   n5FRing RingCount (5, False, True, None, None) 2D
1700   n6FRing RingCount (6, False, True, None, None) 2D
1701   n7FRing RingCount (7, False, True, None, None) 2D
1702   n8FRing RingCount (8, False, True, None, None) 2D
1703   n9FRing RingCount (9, False, True, None, None) 2D
1704   n10FRing RingCount (10, False, True, None, None) 2D
1705   n11FRing RingCount (11, False, True, None, None) 2D
1706   n12FRing RingCount (12, False, True, None, None) 2D
1707   nG12FRing RingCount (12, True, True, None, None) 2D
1708   nFHRing RingCount (None, False, True, None, True) 2D
1709   n4FHRing RingCount (4, False, True, None, True) 2D
1710   n5FHRing RingCount (5, False, True, None, True) 2D
1711   n6FHRing RingCount (6, False, True, None, True) 2D
1712   n7FHRing RingCount (7, False, True, None, True) 2D
1713   n8FHRing RingCount (8, False, True, None, True) 2D
1714   n9FHRing RingCount (9, False, True, None, True) 2D
1715   n10FHRing RingCount (10, False, True, None, True) 2D
1716   n11FHRing RingCount (11, False, True, None, True) 2D
1717   n12FHRing RingCount (12, False, True, None, True) 2D
1718   nG12FHRing RingCount (12, True, True, None, True) 2D
1719   nFaRing RingCount (None, False, True, True, None) 2D
1720   n4FaRing RingCount (4, False, True, True, None) 2D
1721   n5FaRing RingCount (5, False, True, True, None) 2D
1722   n6FaRing RingCount (6, False, True, True, None) 2D
1723   n7FaRing RingCount (7, False, True, True, None) 2D
1724   n8FaRing RingCount (8, False, True, True, None) 2D
1725   n9FaRing RingCount (9, False, True, True, None) 2D
1726   n10FaRing RingCount (10, False, True, True, None) 2D
1727   n11FaRing RingCount (11, False, True, True, None) 2D
1728   n12FaRing RingCount (12, False, True, True, None) 2D
1729   nG12FaRing RingCount (12, True, True, True, None) 2D
1730   nFaHRing RingCount (None, False, True, True, True) 2D
1731   n4FaHRing RingCount (4, False, True, True, True) 2D
1732   n5FaHRing RingCount (5, False, True, True, True) 2D
1733   n6FaHRing RingCount (6, False, True, True, True) 2D
1734   n7FaHRing RingCount (7, False, True, True, True) 2D
1735   n8FaHRing RingCount (8, False, True, True, True) 2D
1736   n9FaHRing RingCount (9, False, True, True, True) 2D
1737   n10FaHRing RingCount (10, False, True, True, True) 2D
1738   n11FaHRing RingCount (11, False, True, True, True) 2D
1739   n12FaHRing RingCount (12, False, True, True, True) 2D
1740   nG12FaHRing RingCount (12, True, True, True, True) 2D
1741   nFARing RingCount (None, False, True, False, None) 2D
1742   n4FARing RingCount (4, False, True, False, None) 2D
1743   n5FARing RingCount (5, False, True, False, None) 2D
1744   n6FARing RingCount (6, False, True, False, None) 2D
1745   n7FARing RingCount (7, False, True, False, None) 2D
1746   n8FARing RingCount (8, False, True, False, None) 2D
1747   n9FARing RingCount (9, False, True, False, None) 2D
1748   n10FARing RingCount (10, False, True, False, None) 2D
1749   n11FARing RingCount (11, False, True, False, None) 2D
1750   n12FARing RingCount (12, False, True, False, None) 2D
1751   nG12FARing RingCount (12, True, True, False, None) 2D
1752   nFAHRing RingCount (None, False, True, False, True) 2D
1753   n4FAHRing RingCount (4, False, True, False, True) 2D
1754   n5FAHRing RingCount (5, False, True, False, True) 2D
1755   n6FAHRing RingCount (6, False, True, False, True) 2D
1756   n7FAHRing RingCount (7, False, True, False, True) 2D
1757   n8FAHRing RingCount (8, False, True, False, True) 2D
1758   n9FAHRing RingCount (9, False, True, False, True) 2D
1759   n10FAHRing RingCount (10, False, True, False, True) 2D
1760   n11FAHRing RingCount (11, False, True, False, True) 2D
1761   n12FAHRing RingCount (12, False, True, False, True) 2D
1762   nG12FAHRing RingCount (12, True, True, False, True) 2D
1763 RotatableBond nRot RotatableBondsCount () 2D
1764   RotRatio RotatableBondsRatio () 2D
1765 SLogP SLogP SLogP () 2D
1766   SMR SMR () 2D
1767 TopoPSA TopoPSA(NO) TopoPSA (True) 2D
1768   TopoPSA TopoPSA (False) 2D
1769 TopologicalCharge GGI1 TopologicalCharge (‘raw’, 1) 2D
1770   GGI2 TopologicalCharge (‘raw’, 2) 2D
1771   GGI3 TopologicalCharge (‘raw’, 3) 2D
1772   GGI4 TopologicalCharge (‘raw’, 4) 2D
1773   GGI5 TopologicalCharge (‘raw’, 5) 2D
1774   GGI6 TopologicalCharge (‘raw’, 6) 2D
1775   GGI7 TopologicalCharge (‘raw’, 7) 2D
1776   GGI8 TopologicalCharge (‘raw’, 8) 2D
1777   GGI9 TopologicalCharge (‘raw’, 9) 2D
1778   GGI10 TopologicalCharge (‘raw’, 10) 2D
1779   JGI1 TopologicalCharge (‘mean’, 1) 2D
1780   JGI2 TopologicalCharge (‘mean’, 2) 2D
1781   JGI3 TopologicalCharge (‘mean’, 3) 2D
1782   JGI4 TopologicalCharge (‘mean’, 4) 2D
1783   JGI5 TopologicalCharge (‘mean’, 5) 2D
1784   JGI6 TopologicalCharge (‘mean’, 6) 2D
1785   JGI7 TopologicalCharge (‘mean’, 7) 2D
1786   JGI8 TopologicalCharge (‘mean’, 8) 2D
1787   JGI9 TopologicalCharge (‘mean’, 9) 2D
1788   JGI10 TopologicalCharge (‘mean’, 10) 2D
1789   JGT10 TopologicalCharge (‘global’, 10) 2D
1790 TopologicalIndex Radius Radius () 2D
1791   Diameter Diameter () 2D
1792   TopoShapeIndex TopologicalShapeIndex () 2D
1793   PetitjeanIndex PetitjeanIndex () 2D
1794 VdwVolumeABC Vabc VdwVolumeABC () 2D
1795 VertexAdjacencyInformation VAdjMat VertexAdjacencyInformation () 2D
1796 WalkCount MWC01 WalkCount (1, False, False) 2D
1797   MWC02 WalkCount (2, False, False) 2D
1798   MWC03 WalkCount (3, False, False) 2D
1799   MWC04 WalkCount (4, False, False) 2D
1800   MWC05 WalkCount (5, False, False) 2D
1801   MWC06 WalkCount (6, False, False) 2D
1802   MWC07 WalkCount (7, False, False) 2D
1803   MWC08 WalkCount (8, False, False) 2D
1804   MWC09 WalkCount (9, False, False) 2D
1805   MWC10 WalkCount (10, False, False) 2D
1806   TMWC10 WalkCount (10, True, False) 2D
1807   SRW02 WalkCount (2, False, True) 2D
1808   SRW03 WalkCount (3, False, True) 2D
1809   SRW04 WalkCount (4, False, True) 2D
1810   SRW05 WalkCount (5, False, True) 2D
1811   SRW06 WalkCount (6, False, True) 2D
1812   SRW07 WalkCount (7, False, True) 2D
1813   SRW08 WalkCount (8, False, True) 2D
1814   SRW09 WalkCount (9, False, True) 2D
1815   SRW10 WalkCount (10, False, True) 2D
1816   TSRW10 WalkCount (10, True, True) 2D
1817 Weight MW Weight (False) 2D
1818   AMW Weight (True) 2D
1819 WienerIndex WPath WienerIndex (False) 2D
1820   WPol WienerIndex (True) 2D
1821 ZagrebIndex Zagreb1 ZagrebIndex (1, 1) 2D
1822   Zagreb2 ZagrebIndex (2, 1) 2D
1823   mZagreb1 ZagrebIndex (1, -1) 2D
1824   mZagreb2 ZagrebIndex (2, -1) 2D