Descriptor List

preset descriptors

calc = Calculator(all_descriptors())
Descriptor list
# module name constructor
1 AcidBase nAcid AcidicGroupCount ()
2   nBase BasicGroupCount ()
3 AdjacencyMatrix SpAbs_A AdjacencyMatrix (‘SpAbs’)
4   SpMax_A AdjacencyMatrix (‘SpMax’)
5   SpDiam_A AdjacencyMatrix (‘SpDiam’)
6   SpAD_A AdjacencyMatrix (‘SpAD’)
7   SpMAD_A AdjacencyMatrix (‘SpMAD’)
8   LogEE_A AdjacencyMatrix (‘LogEE’)
9   SM1_A AdjacencyMatrix (‘SM1’)
10   VE1_A AdjacencyMatrix (‘VE1’)
11   VE2_A AdjacencyMatrix (‘VE2’)
12   VE3_A AdjacencyMatrix (‘VE3’)
13   VR1_A AdjacencyMatrix (‘VR1’)
14   VR2_A AdjacencyMatrix (‘VR2’)
15   VR3_A AdjacencyMatrix (‘VR3’)
16 Aromatic nAromAtom AromaticAtomsCount ()
17   nAromBond AromaticBondsCount ()
18 AtomCount nAtom AtomCount (‘Atom’)
19   nHeavyAtom AtomCount (‘HeavyAtom’)
20   nSpiro AtomCount (‘Spiro’)
21   nBridgehead AtomCount (‘Bridgehead’)
22   nH AtomCount (‘H’)
23   nB AtomCount (‘B’)
24   nC AtomCount (‘C’)
25   nN AtomCount (‘N’)
26   nO AtomCount (‘O’)
27   nS AtomCount (‘S’)
28   nP AtomCount (‘P’)
29   nF AtomCount (‘F’)
30   nCl AtomCount (‘Cl’)
31   nBr AtomCount (‘Br’)
32   nI AtomCount (‘I’)
33   nX AtomCount (‘X’)
34 Autocorrelation ATS0Z ATS (0, ‘Z’)
35   ATS1Z ATS (1, ‘Z’)
36   ATS2Z ATS (2, ‘Z’)
37   ATS3Z ATS (3, ‘Z’)
38   ATS4Z ATS (4, ‘Z’)
39   ATS5Z ATS (5, ‘Z’)
40   ATS6Z ATS (6, ‘Z’)
41   ATS7Z ATS (7, ‘Z’)
42   ATS8Z ATS (8, ‘Z’)
43   ATS0m ATS (0, ‘m’)
44   ATS1m ATS (1, ‘m’)
45   ATS2m ATS (2, ‘m’)
46   ATS3m ATS (3, ‘m’)
47   ATS4m ATS (4, ‘m’)
48   ATS5m ATS (5, ‘m’)
49   ATS6m ATS (6, ‘m’)
50   ATS7m ATS (7, ‘m’)
51   ATS8m ATS (8, ‘m’)
52   ATS0v ATS (0, ‘v’)
53   ATS1v ATS (1, ‘v’)
54   ATS2v ATS (2, ‘v’)
55   ATS3v ATS (3, ‘v’)
56   ATS4v ATS (4, ‘v’)
57   ATS5v ATS (5, ‘v’)
58   ATS6v ATS (6, ‘v’)
59   ATS7v ATS (7, ‘v’)
60   ATS8v ATS (8, ‘v’)
61   ATS0e ATS (0, ‘e’)
62   ATS1e ATS (1, ‘e’)
63   ATS2e ATS (2, ‘e’)
64   ATS3e ATS (3, ‘e’)
65   ATS4e ATS (4, ‘e’)
66   ATS5e ATS (5, ‘e’)
67   ATS6e ATS (6, ‘e’)
68   ATS7e ATS (7, ‘e’)
69   ATS8e ATS (8, ‘e’)
70   ATS0pe ATS (0, ‘pe’)
71   ATS1pe ATS (1, ‘pe’)
72   ATS2pe ATS (2, ‘pe’)
73   ATS3pe ATS (3, ‘pe’)
74   ATS4pe ATS (4, ‘pe’)
75   ATS5pe ATS (5, ‘pe’)
76   ATS6pe ATS (6, ‘pe’)
77   ATS7pe ATS (7, ‘pe’)
78   ATS8pe ATS (8, ‘pe’)
79   ATS0are ATS (0, ‘are’)
80   ATS1are ATS (1, ‘are’)
81   ATS2are ATS (2, ‘are’)
82   ATS3are ATS (3, ‘are’)
83   ATS4are ATS (4, ‘are’)
84   ATS5are ATS (5, ‘are’)
85   ATS6are ATS (6, ‘are’)
86   ATS7are ATS (7, ‘are’)
87   ATS8are ATS (8, ‘are’)
88   ATS0p ATS (0, ‘p’)
89   ATS1p ATS (1, ‘p’)
90   ATS2p ATS (2, ‘p’)
91   ATS3p ATS (3, ‘p’)
92   ATS4p ATS (4, ‘p’)
93   ATS5p ATS (5, ‘p’)
94   ATS6p ATS (6, ‘p’)
95   ATS7p ATS (7, ‘p’)
96   ATS8p ATS (8, ‘p’)
97   ATS0i ATS (0, ‘i’)
98   ATS1i ATS (1, ‘i’)
99   ATS2i ATS (2, ‘i’)
100   ATS3i ATS (3, ‘i’)
101   ATS4i ATS (4, ‘i’)
102   ATS5i ATS (5, ‘i’)
103   ATS6i ATS (6, ‘i’)
104   ATS7i ATS (7, ‘i’)
105   ATS8i ATS (8, ‘i’)
106   ATS0s ATS (0, ‘s’)
107   ATS1s ATS (1, ‘s’)
108   ATS2s ATS (2, ‘s’)
109   ATS3s ATS (3, ‘s’)
110   ATS4s ATS (4, ‘s’)
111   ATS5s ATS (5, ‘s’)
112   ATS6s ATS (6, ‘s’)
113   ATS7s ATS (7, ‘s’)
114   ATS8s ATS (8, ‘s’)
115   AATS0Z AATS (0, ‘Z’)
116   AATS1Z AATS (1, ‘Z’)
117   AATS2Z AATS (2, ‘Z’)
118   AATS3Z AATS (3, ‘Z’)
119   AATS4Z AATS (4, ‘Z’)
120   AATS5Z AATS (5, ‘Z’)
121   AATS6Z AATS (6, ‘Z’)
122   AATS7Z AATS (7, ‘Z’)
123   AATS8Z AATS (8, ‘Z’)
124   AATS0m AATS (0, ‘m’)
125   AATS1m AATS (1, ‘m’)
126   AATS2m AATS (2, ‘m’)
127   AATS3m AATS (3, ‘m’)
128   AATS4m AATS (4, ‘m’)
129   AATS5m AATS (5, ‘m’)
130   AATS6m AATS (6, ‘m’)
131   AATS7m AATS (7, ‘m’)
132   AATS8m AATS (8, ‘m’)
133   AATS0v AATS (0, ‘v’)
134   AATS1v AATS (1, ‘v’)
135   AATS2v AATS (2, ‘v’)
136   AATS3v AATS (3, ‘v’)
137   AATS4v AATS (4, ‘v’)
138   AATS5v AATS (5, ‘v’)
139   AATS6v AATS (6, ‘v’)
140   AATS7v AATS (7, ‘v’)
141   AATS8v AATS (8, ‘v’)
142   AATS0e AATS (0, ‘e’)
143   AATS1e AATS (1, ‘e’)
144   AATS2e AATS (2, ‘e’)
145   AATS3e AATS (3, ‘e’)
146   AATS4e AATS (4, ‘e’)
147   AATS5e AATS (5, ‘e’)
148   AATS6e AATS (6, ‘e’)
149   AATS7e AATS (7, ‘e’)
150   AATS8e AATS (8, ‘e’)
151   AATS0pe AATS (0, ‘pe’)
152   AATS1pe AATS (1, ‘pe’)
153   AATS2pe AATS (2, ‘pe’)
154   AATS3pe AATS (3, ‘pe’)
155   AATS4pe AATS (4, ‘pe’)
156   AATS5pe AATS (5, ‘pe’)
157   AATS6pe AATS (6, ‘pe’)
158   AATS7pe AATS (7, ‘pe’)
159   AATS8pe AATS (8, ‘pe’)
160   AATS0are AATS (0, ‘are’)
161   AATS1are AATS (1, ‘are’)
162   AATS2are AATS (2, ‘are’)
163   AATS3are AATS (3, ‘are’)
164   AATS4are AATS (4, ‘are’)
165   AATS5are AATS (5, ‘are’)
166   AATS6are AATS (6, ‘are’)
167   AATS7are AATS (7, ‘are’)
168   AATS8are AATS (8, ‘are’)
169   AATS0p AATS (0, ‘p’)
170   AATS1p AATS (1, ‘p’)
171   AATS2p AATS (2, ‘p’)
172   AATS3p AATS (3, ‘p’)
173   AATS4p AATS (4, ‘p’)
174   AATS5p AATS (5, ‘p’)
175   AATS6p AATS (6, ‘p’)
176   AATS7p AATS (7, ‘p’)
177   AATS8p AATS (8, ‘p’)
178   AATS0i AATS (0, ‘i’)
179   AATS1i AATS (1, ‘i’)
180   AATS2i AATS (2, ‘i’)
181   AATS3i AATS (3, ‘i’)
182   AATS4i AATS (4, ‘i’)
183   AATS5i AATS (5, ‘i’)
184   AATS6i AATS (6, ‘i’)
185   AATS7i AATS (7, ‘i’)
186   AATS8i AATS (8, ‘i’)
187   AATS0s AATS (0, ‘s’)
188   AATS1s AATS (1, ‘s’)
189   AATS2s AATS (2, ‘s’)
190   AATS3s AATS (3, ‘s’)
191   AATS4s AATS (4, ‘s’)
192   AATS5s AATS (5, ‘s’)
193   AATS6s AATS (6, ‘s’)
194   AATS7s AATS (7, ‘s’)
195   AATS8s AATS (8, ‘s’)
196   ATSC0c ATSC (0, ‘c’)
197   ATSC1c ATSC (1, ‘c’)
198   ATSC2c ATSC (2, ‘c’)
199   ATSC3c ATSC (3, ‘c’)
200   ATSC4c ATSC (4, ‘c’)
201   ATSC5c ATSC (5, ‘c’)
202   ATSC6c ATSC (6, ‘c’)
203   ATSC7c ATSC (7, ‘c’)
204   ATSC8c ATSC (8, ‘c’)
205   ATSC0Z ATSC (0, ‘Z’)
206   ATSC1Z ATSC (1, ‘Z’)
207   ATSC2Z ATSC (2, ‘Z’)
208   ATSC3Z ATSC (3, ‘Z’)
209   ATSC4Z ATSC (4, ‘Z’)
210   ATSC5Z ATSC (5, ‘Z’)
211   ATSC6Z ATSC (6, ‘Z’)
212   ATSC7Z ATSC (7, ‘Z’)
213   ATSC8Z ATSC (8, ‘Z’)
214   ATSC0m ATSC (0, ‘m’)
215   ATSC1m ATSC (1, ‘m’)
216   ATSC2m ATSC (2, ‘m’)
217   ATSC3m ATSC (3, ‘m’)
218   ATSC4m ATSC (4, ‘m’)
219   ATSC5m ATSC (5, ‘m’)
220   ATSC6m ATSC (6, ‘m’)
221   ATSC7m ATSC (7, ‘m’)
222   ATSC8m ATSC (8, ‘m’)
223   ATSC0v ATSC (0, ‘v’)
224   ATSC1v ATSC (1, ‘v’)
225   ATSC2v ATSC (2, ‘v’)
226   ATSC3v ATSC (3, ‘v’)
227   ATSC4v ATSC (4, ‘v’)
228   ATSC5v ATSC (5, ‘v’)
229   ATSC6v ATSC (6, ‘v’)
230   ATSC7v ATSC (7, ‘v’)
231   ATSC8v ATSC (8, ‘v’)
232   ATSC0e ATSC (0, ‘e’)
233   ATSC1e ATSC (1, ‘e’)
234   ATSC2e ATSC (2, ‘e’)
235   ATSC3e ATSC (3, ‘e’)
236   ATSC4e ATSC (4, ‘e’)
237   ATSC5e ATSC (5, ‘e’)
238   ATSC6e ATSC (6, ‘e’)
239   ATSC7e ATSC (7, ‘e’)
240   ATSC8e ATSC (8, ‘e’)
241   ATSC0pe ATSC (0, ‘pe’)
242   ATSC1pe ATSC (1, ‘pe’)
243   ATSC2pe ATSC (2, ‘pe’)
244   ATSC3pe ATSC (3, ‘pe’)
245   ATSC4pe ATSC (4, ‘pe’)
246   ATSC5pe ATSC (5, ‘pe’)
247   ATSC6pe ATSC (6, ‘pe’)
248   ATSC7pe ATSC (7, ‘pe’)
249   ATSC8pe ATSC (8, ‘pe’)
250   ATSC0are ATSC (0, ‘are’)
251   ATSC1are ATSC (1, ‘are’)
252   ATSC2are ATSC (2, ‘are’)
253   ATSC3are ATSC (3, ‘are’)
254   ATSC4are ATSC (4, ‘are’)
255   ATSC5are ATSC (5, ‘are’)
256   ATSC6are ATSC (6, ‘are’)
257   ATSC7are ATSC (7, ‘are’)
258   ATSC8are ATSC (8, ‘are’)
259   ATSC0p ATSC (0, ‘p’)
260   ATSC1p ATSC (1, ‘p’)
261   ATSC2p ATSC (2, ‘p’)
262   ATSC3p ATSC (3, ‘p’)
263   ATSC4p ATSC (4, ‘p’)
264   ATSC5p ATSC (5, ‘p’)
265   ATSC6p ATSC (6, ‘p’)
266   ATSC7p ATSC (7, ‘p’)
267   ATSC8p ATSC (8, ‘p’)
268   ATSC0i ATSC (0, ‘i’)
269   ATSC1i ATSC (1, ‘i’)
270   ATSC2i ATSC (2, ‘i’)
271   ATSC3i ATSC (3, ‘i’)
272   ATSC4i ATSC (4, ‘i’)
273   ATSC5i ATSC (5, ‘i’)
274   ATSC6i ATSC (6, ‘i’)
275   ATSC7i ATSC (7, ‘i’)
276   ATSC8i ATSC (8, ‘i’)
277   ATSC0s ATSC (0, ‘s’)
278   ATSC1s ATSC (1, ‘s’)
279   ATSC2s ATSC (2, ‘s’)
280   ATSC3s ATSC (3, ‘s’)
281   ATSC4s ATSC (4, ‘s’)
282   ATSC5s ATSC (5, ‘s’)
283   ATSC6s ATSC (6, ‘s’)
284   ATSC7s ATSC (7, ‘s’)
285   ATSC8s ATSC (8, ‘s’)
286   AATSC0c AATSC (0, ‘c’)
287   AATSC1c AATSC (1, ‘c’)
288   AATSC2c AATSC (2, ‘c’)
289   AATSC3c AATSC (3, ‘c’)
290   AATSC4c AATSC (4, ‘c’)
291   AATSC5c AATSC (5, ‘c’)
292   AATSC6c AATSC (6, ‘c’)
293   AATSC7c AATSC (7, ‘c’)
294   AATSC8c AATSC (8, ‘c’)
295   AATSC0Z AATSC (0, ‘Z’)
296   AATSC1Z AATSC (1, ‘Z’)
297   AATSC2Z AATSC (2, ‘Z’)
298   AATSC3Z AATSC (3, ‘Z’)
299   AATSC4Z AATSC (4, ‘Z’)
300   AATSC5Z AATSC (5, ‘Z’)
301   AATSC6Z AATSC (6, ‘Z’)
302   AATSC7Z AATSC (7, ‘Z’)
303   AATSC8Z AATSC (8, ‘Z’)
304   AATSC0m AATSC (0, ‘m’)
305   AATSC1m AATSC (1, ‘m’)
306   AATSC2m AATSC (2, ‘m’)
307   AATSC3m AATSC (3, ‘m’)
308   AATSC4m AATSC (4, ‘m’)
309   AATSC5m AATSC (5, ‘m’)
310   AATSC6m AATSC (6, ‘m’)
311   AATSC7m AATSC (7, ‘m’)
312   AATSC8m AATSC (8, ‘m’)
313   AATSC0v AATSC (0, ‘v’)
314   AATSC1v AATSC (1, ‘v’)
315   AATSC2v AATSC (2, ‘v’)
316   AATSC3v AATSC (3, ‘v’)
317   AATSC4v AATSC (4, ‘v’)
318   AATSC5v AATSC (5, ‘v’)
319   AATSC6v AATSC (6, ‘v’)
320   AATSC7v AATSC (7, ‘v’)
321   AATSC8v AATSC (8, ‘v’)
322   AATSC0e AATSC (0, ‘e’)
323   AATSC1e AATSC (1, ‘e’)
324   AATSC2e AATSC (2, ‘e’)
325   AATSC3e AATSC (3, ‘e’)
326   AATSC4e AATSC (4, ‘e’)
327   AATSC5e AATSC (5, ‘e’)
328   AATSC6e AATSC (6, ‘e’)
329   AATSC7e AATSC (7, ‘e’)
330   AATSC8e AATSC (8, ‘e’)
331   AATSC0pe AATSC (0, ‘pe’)
332   AATSC1pe AATSC (1, ‘pe’)
333   AATSC2pe AATSC (2, ‘pe’)
334   AATSC3pe AATSC (3, ‘pe’)
335   AATSC4pe AATSC (4, ‘pe’)
336   AATSC5pe AATSC (5, ‘pe’)
337   AATSC6pe AATSC (6, ‘pe’)
338   AATSC7pe AATSC (7, ‘pe’)
339   AATSC8pe AATSC (8, ‘pe’)
340   AATSC0are AATSC (0, ‘are’)
341   AATSC1are AATSC (1, ‘are’)
342   AATSC2are AATSC (2, ‘are’)
343   AATSC3are AATSC (3, ‘are’)
344   AATSC4are AATSC (4, ‘are’)
345   AATSC5are AATSC (5, ‘are’)
346   AATSC6are AATSC (6, ‘are’)
347   AATSC7are AATSC (7, ‘are’)
348   AATSC8are AATSC (8, ‘are’)
349   AATSC0p AATSC (0, ‘p’)
350   AATSC1p AATSC (1, ‘p’)
351   AATSC2p AATSC (2, ‘p’)
352   AATSC3p AATSC (3, ‘p’)
353   AATSC4p AATSC (4, ‘p’)
354   AATSC5p AATSC (5, ‘p’)
355   AATSC6p AATSC (6, ‘p’)
356   AATSC7p AATSC (7, ‘p’)
357   AATSC8p AATSC (8, ‘p’)
358   AATSC0i AATSC (0, ‘i’)
359   AATSC1i AATSC (1, ‘i’)
360   AATSC2i AATSC (2, ‘i’)
361   AATSC3i AATSC (3, ‘i’)
362   AATSC4i AATSC (4, ‘i’)
363   AATSC5i AATSC (5, ‘i’)
364   AATSC6i AATSC (6, ‘i’)
365   AATSC7i AATSC (7, ‘i’)
366   AATSC8i AATSC (8, ‘i’)
367   AATSC0s AATSC (0, ‘s’)
368   AATSC1s AATSC (1, ‘s’)
369   AATSC2s AATSC (2, ‘s’)
370   AATSC3s AATSC (3, ‘s’)
371   AATSC4s AATSC (4, ‘s’)
372   AATSC5s AATSC (5, ‘s’)
373   AATSC6s AATSC (6, ‘s’)
374   AATSC7s AATSC (7, ‘s’)
375   AATSC8s AATSC (8, ‘s’)
376   MATS1c MATS (1, ‘c’)
377   MATS2c MATS (2, ‘c’)
378   MATS3c MATS (3, ‘c’)
379   MATS4c MATS (4, ‘c’)
380   MATS5c MATS (5, ‘c’)
381   MATS6c MATS (6, ‘c’)
382   MATS7c MATS (7, ‘c’)
383   MATS8c MATS (8, ‘c’)
384   MATS1Z MATS (1, ‘Z’)
385   MATS2Z MATS (2, ‘Z’)
386   MATS3Z MATS (3, ‘Z’)
387   MATS4Z MATS (4, ‘Z’)
388   MATS5Z MATS (5, ‘Z’)
389   MATS6Z MATS (6, ‘Z’)
390   MATS7Z MATS (7, ‘Z’)
391   MATS8Z MATS (8, ‘Z’)
392   MATS1m MATS (1, ‘m’)
393   MATS2m MATS (2, ‘m’)
394   MATS3m MATS (3, ‘m’)
395   MATS4m MATS (4, ‘m’)
396   MATS5m MATS (5, ‘m’)
397   MATS6m MATS (6, ‘m’)
398   MATS7m MATS (7, ‘m’)
399   MATS8m MATS (8, ‘m’)
400   MATS1v MATS (1, ‘v’)
401   MATS2v MATS (2, ‘v’)
402   MATS3v MATS (3, ‘v’)
403   MATS4v MATS (4, ‘v’)
404   MATS5v MATS (5, ‘v’)
405   MATS6v MATS (6, ‘v’)
406   MATS7v MATS (7, ‘v’)
407   MATS8v MATS (8, ‘v’)
408   MATS1e MATS (1, ‘e’)
409   MATS2e MATS (2, ‘e’)
410   MATS3e MATS (3, ‘e’)
411   MATS4e MATS (4, ‘e’)
412   MATS5e MATS (5, ‘e’)
413   MATS6e MATS (6, ‘e’)
414   MATS7e MATS (7, ‘e’)
415   MATS8e MATS (8, ‘e’)
416   MATS1pe MATS (1, ‘pe’)
417   MATS2pe MATS (2, ‘pe’)
418   MATS3pe MATS (3, ‘pe’)
419   MATS4pe MATS (4, ‘pe’)
420   MATS5pe MATS (5, ‘pe’)
421   MATS6pe MATS (6, ‘pe’)
422   MATS7pe MATS (7, ‘pe’)
423   MATS8pe MATS (8, ‘pe’)
424   MATS1are MATS (1, ‘are’)
425   MATS2are MATS (2, ‘are’)
426   MATS3are MATS (3, ‘are’)
427   MATS4are MATS (4, ‘are’)
428   MATS5are MATS (5, ‘are’)
429   MATS6are MATS (6, ‘are’)
430   MATS7are MATS (7, ‘are’)
431   MATS8are MATS (8, ‘are’)
432   MATS1p MATS (1, ‘p’)
433   MATS2p MATS (2, ‘p’)
434   MATS3p MATS (3, ‘p’)
435   MATS4p MATS (4, ‘p’)
436   MATS5p MATS (5, ‘p’)
437   MATS6p MATS (6, ‘p’)
438   MATS7p MATS (7, ‘p’)
439   MATS8p MATS (8, ‘p’)
440   MATS1i MATS (1, ‘i’)
441   MATS2i MATS (2, ‘i’)
442   MATS3i MATS (3, ‘i’)
443   MATS4i MATS (4, ‘i’)
444   MATS5i MATS (5, ‘i’)
445   MATS6i MATS (6, ‘i’)
446   MATS7i MATS (7, ‘i’)
447   MATS8i MATS (8, ‘i’)
448   MATS1s MATS (1, ‘s’)
449   MATS2s MATS (2, ‘s’)
450   MATS3s MATS (3, ‘s’)
451   MATS4s MATS (4, ‘s’)
452   MATS5s MATS (5, ‘s’)
453   MATS6s MATS (6, ‘s’)
454   MATS7s MATS (7, ‘s’)
455   MATS8s MATS (8, ‘s’)
456   GATS1c GATS (1, ‘c’)
457   GATS2c GATS (2, ‘c’)
458   GATS3c GATS (3, ‘c’)
459   GATS4c GATS (4, ‘c’)
460   GATS5c GATS (5, ‘c’)
461   GATS6c GATS (6, ‘c’)
462   GATS7c GATS (7, ‘c’)
463   GATS8c GATS (8, ‘c’)
464   GATS1Z GATS (1, ‘Z’)
465   GATS2Z GATS (2, ‘Z’)
466   GATS3Z GATS (3, ‘Z’)
467   GATS4Z GATS (4, ‘Z’)
468   GATS5Z GATS (5, ‘Z’)
469   GATS6Z GATS (6, ‘Z’)
470   GATS7Z GATS (7, ‘Z’)
471   GATS8Z GATS (8, ‘Z’)
472   GATS1m GATS (1, ‘m’)
473   GATS2m GATS (2, ‘m’)
474   GATS3m GATS (3, ‘m’)
475   GATS4m GATS (4, ‘m’)
476   GATS5m GATS (5, ‘m’)
477   GATS6m GATS (6, ‘m’)
478   GATS7m GATS (7, ‘m’)
479   GATS8m GATS (8, ‘m’)
480   GATS1v GATS (1, ‘v’)
481   GATS2v GATS (2, ‘v’)
482   GATS3v GATS (3, ‘v’)
483   GATS4v GATS (4, ‘v’)
484   GATS5v GATS (5, ‘v’)
485   GATS6v GATS (6, ‘v’)
486   GATS7v GATS (7, ‘v’)
487   GATS8v GATS (8, ‘v’)
488   GATS1e GATS (1, ‘e’)
489   GATS2e GATS (2, ‘e’)
490   GATS3e GATS (3, ‘e’)
491   GATS4e GATS (4, ‘e’)
492   GATS5e GATS (5, ‘e’)
493   GATS6e GATS (6, ‘e’)
494   GATS7e GATS (7, ‘e’)
495   GATS8e GATS (8, ‘e’)
496   GATS1pe GATS (1, ‘pe’)
497   GATS2pe GATS (2, ‘pe’)
498   GATS3pe GATS (3, ‘pe’)
499   GATS4pe GATS (4, ‘pe’)
500   GATS5pe GATS (5, ‘pe’)
501   GATS6pe GATS (6, ‘pe’)
502   GATS7pe GATS (7, ‘pe’)
503   GATS8pe GATS (8, ‘pe’)
504   GATS1are GATS (1, ‘are’)
505   GATS2are GATS (2, ‘are’)
506   GATS3are GATS (3, ‘are’)
507   GATS4are GATS (4, ‘are’)
508   GATS5are GATS (5, ‘are’)
509   GATS6are GATS (6, ‘are’)
510   GATS7are GATS (7, ‘are’)
511   GATS8are GATS (8, ‘are’)
512   GATS1p GATS (1, ‘p’)
513   GATS2p GATS (2, ‘p’)
514   GATS3p GATS (3, ‘p’)
515   GATS4p GATS (4, ‘p’)
516   GATS5p GATS (5, ‘p’)
517   GATS6p GATS (6, ‘p’)
518   GATS7p GATS (7, ‘p’)
519   GATS8p GATS (8, ‘p’)
520   GATS1i GATS (1, ‘i’)
521   GATS2i GATS (2, ‘i’)
522   GATS3i GATS (3, ‘i’)
523   GATS4i GATS (4, ‘i’)
524   GATS5i GATS (5, ‘i’)
525   GATS6i GATS (6, ‘i’)
526   GATS7i GATS (7, ‘i’)
527   GATS8i GATS (8, ‘i’)
528   GATS1s GATS (1, ‘s’)
529   GATS2s GATS (2, ‘s’)
530   GATS3s GATS (3, ‘s’)
531   GATS4s GATS (4, ‘s’)
532   GATS5s GATS (5, ‘s’)
533   GATS6s GATS (6, ‘s’)
534   GATS7s GATS (7, ‘s’)
535   GATS8s GATS (8, ‘s’)
536 BCUT BCUTc-1h BCUT (‘c’, 0)
537   BCUTc-1l BCUT (‘c’, -1)
538   BCUTZ-1h BCUT (‘Z’, 0)
539   BCUTZ-1l BCUT (‘Z’, -1)
540   BCUTm-1h BCUT (‘m’, 0)
541   BCUTm-1l BCUT (‘m’, -1)
542   BCUTv-1h BCUT (‘v’, 0)
543   BCUTv-1l BCUT (‘v’, -1)
544   BCUTe-1h BCUT (‘e’, 0)
545   BCUTe-1l BCUT (‘e’, -1)
546   BCUTpe-1h BCUT (‘pe’, 0)
547   BCUTpe-1l BCUT (‘pe’, -1)
548   BCUTare-1h BCUT (‘are’, 0)
549   BCUTare-1l BCUT (‘are’, -1)
550   BCUTp-1h BCUT (‘p’, 0)
551   BCUTp-1l BCUT (‘p’, -1)
552   BCUTi-1h BCUT (‘i’, 0)
553   BCUTi-1l BCUT (‘i’, -1)
554   BCUTs-1h BCUT (‘s’, 0)
555   BCUTs-1l BCUT (‘s’, -1)
556 BalabanJ BalabanJ BalabanJ ()
557 BaryszMatrix SpAbs_DzZ BaryszMatrix (‘Z’, ‘SpAbs’)
558   SpMax_DzZ BaryszMatrix (‘Z’, ‘SpMax’)
559   SpDiam_DzZ BaryszMatrix (‘Z’, ‘SpDiam’)
560   SpAD_DzZ BaryszMatrix (‘Z’, ‘SpAD’)
561   SpMAD_DzZ BaryszMatrix (‘Z’, ‘SpMAD’)
562   LogEE_DzZ BaryszMatrix (‘Z’, ‘LogEE’)
563   SM1_DzZ BaryszMatrix (‘Z’, ‘SM1’)
564   VE1_DzZ BaryszMatrix (‘Z’, ‘VE1’)
565   VE2_DzZ BaryszMatrix (‘Z’, ‘VE2’)
566   VE3_DzZ BaryszMatrix (‘Z’, ‘VE3’)
567   VR1_DzZ BaryszMatrix (‘Z’, ‘VR1’)
568   VR2_DzZ BaryszMatrix (‘Z’, ‘VR2’)
569   VR3_DzZ BaryszMatrix (‘Z’, ‘VR3’)
570   SpAbs_Dzm BaryszMatrix (‘m’, ‘SpAbs’)
571   SpMax_Dzm BaryszMatrix (‘m’, ‘SpMax’)
572   SpDiam_Dzm BaryszMatrix (‘m’, ‘SpDiam’)
573   SpAD_Dzm BaryszMatrix (‘m’, ‘SpAD’)
574   SpMAD_Dzm BaryszMatrix (‘m’, ‘SpMAD’)
575   LogEE_Dzm BaryszMatrix (‘m’, ‘LogEE’)
576   SM1_Dzm BaryszMatrix (‘m’, ‘SM1’)
577   VE1_Dzm BaryszMatrix (‘m’, ‘VE1’)
578   VE2_Dzm BaryszMatrix (‘m’, ‘VE2’)
579   VE3_Dzm BaryszMatrix (‘m’, ‘VE3’)
580   VR1_Dzm BaryszMatrix (‘m’, ‘VR1’)
581   VR2_Dzm BaryszMatrix (‘m’, ‘VR2’)
582   VR3_Dzm BaryszMatrix (‘m’, ‘VR3’)
583   SpAbs_Dzv BaryszMatrix (‘v’, ‘SpAbs’)
584   SpMax_Dzv BaryszMatrix (‘v’, ‘SpMax’)
585   SpDiam_Dzv BaryszMatrix (‘v’, ‘SpDiam’)
586   SpAD_Dzv BaryszMatrix (‘v’, ‘SpAD’)
587   SpMAD_Dzv BaryszMatrix (‘v’, ‘SpMAD’)
588   LogEE_Dzv BaryszMatrix (‘v’, ‘LogEE’)
589   SM1_Dzv BaryszMatrix (‘v’, ‘SM1’)
590   VE1_Dzv BaryszMatrix (‘v’, ‘VE1’)
591   VE2_Dzv BaryszMatrix (‘v’, ‘VE2’)
592   VE3_Dzv BaryszMatrix (‘v’, ‘VE3’)
593   VR1_Dzv BaryszMatrix (‘v’, ‘VR1’)
594   VR2_Dzv BaryszMatrix (‘v’, ‘VR2’)
595   VR3_Dzv BaryszMatrix (‘v’, ‘VR3’)
596   SpAbs_Dze BaryszMatrix (‘e’, ‘SpAbs’)
597   SpMax_Dze BaryszMatrix (‘e’, ‘SpMax’)
598   SpDiam_Dze BaryszMatrix (‘e’, ‘SpDiam’)
599   SpAD_Dze BaryszMatrix (‘e’, ‘SpAD’)
600   SpMAD_Dze BaryszMatrix (‘e’, ‘SpMAD’)
601   LogEE_Dze BaryszMatrix (‘e’, ‘LogEE’)
602   SM1_Dze BaryszMatrix (‘e’, ‘SM1’)
603   VE1_Dze BaryszMatrix (‘e’, ‘VE1’)
604   VE2_Dze BaryszMatrix (‘e’, ‘VE2’)
605   VE3_Dze BaryszMatrix (‘e’, ‘VE3’)
606   VR1_Dze BaryszMatrix (‘e’, ‘VR1’)
607   VR2_Dze BaryszMatrix (‘e’, ‘VR2’)
608   VR3_Dze BaryszMatrix (‘e’, ‘VR3’)
609   SpAbs_Dzpe BaryszMatrix (‘pe’, ‘SpAbs’)
610   SpMax_Dzpe BaryszMatrix (‘pe’, ‘SpMax’)
611   SpDiam_Dzpe BaryszMatrix (‘pe’, ‘SpDiam’)
612   SpAD_Dzpe BaryszMatrix (‘pe’, ‘SpAD’)
613   SpMAD_Dzpe BaryszMatrix (‘pe’, ‘SpMAD’)
614   LogEE_Dzpe BaryszMatrix (‘pe’, ‘LogEE’)
615   SM1_Dzpe BaryszMatrix (‘pe’, ‘SM1’)
616   VE1_Dzpe BaryszMatrix (‘pe’, ‘VE1’)
617   VE2_Dzpe BaryszMatrix (‘pe’, ‘VE2’)
618   VE3_Dzpe BaryszMatrix (‘pe’, ‘VE3’)
619   VR1_Dzpe BaryszMatrix (‘pe’, ‘VR1’)
620   VR2_Dzpe BaryszMatrix (‘pe’, ‘VR2’)
621   VR3_Dzpe BaryszMatrix (‘pe’, ‘VR3’)
622   SpAbs_Dzare BaryszMatrix (‘are’, ‘SpAbs’)
623   SpMax_Dzare BaryszMatrix (‘are’, ‘SpMax’)
624   SpDiam_Dzare BaryszMatrix (‘are’, ‘SpDiam’)
625   SpAD_Dzare BaryszMatrix (‘are’, ‘SpAD’)
626   SpMAD_Dzare BaryszMatrix (‘are’, ‘SpMAD’)
627   LogEE_Dzare BaryszMatrix (‘are’, ‘LogEE’)
628   SM1_Dzare BaryszMatrix (‘are’, ‘SM1’)
629   VE1_Dzare BaryszMatrix (‘are’, ‘VE1’)
630   VE2_Dzare BaryszMatrix (‘are’, ‘VE2’)
631   VE3_Dzare BaryszMatrix (‘are’, ‘VE3’)
632   VR1_Dzare BaryszMatrix (‘are’, ‘VR1’)
633   VR2_Dzare BaryszMatrix (‘are’, ‘VR2’)
634   VR3_Dzare BaryszMatrix (‘are’, ‘VR3’)
635   SpAbs_Dzp BaryszMatrix (‘p’, ‘SpAbs’)
636   SpMax_Dzp BaryszMatrix (‘p’, ‘SpMax’)
637   SpDiam_Dzp BaryszMatrix (‘p’, ‘SpDiam’)
638   SpAD_Dzp BaryszMatrix (‘p’, ‘SpAD’)
639   SpMAD_Dzp BaryszMatrix (‘p’, ‘SpMAD’)
640   LogEE_Dzp BaryszMatrix (‘p’, ‘LogEE’)
641   SM1_Dzp BaryszMatrix (‘p’, ‘SM1’)
642   VE1_Dzp BaryszMatrix (‘p’, ‘VE1’)
643   VE2_Dzp BaryszMatrix (‘p’, ‘VE2’)
644   VE3_Dzp BaryszMatrix (‘p’, ‘VE3’)
645   VR1_Dzp BaryszMatrix (‘p’, ‘VR1’)
646   VR2_Dzp BaryszMatrix (‘p’, ‘VR2’)
647   VR3_Dzp BaryszMatrix (‘p’, ‘VR3’)
648   SpAbs_Dzi BaryszMatrix (‘i’, ‘SpAbs’)
649   SpMax_Dzi BaryszMatrix (‘i’, ‘SpMax’)
650   SpDiam_Dzi BaryszMatrix (‘i’, ‘SpDiam’)
651   SpAD_Dzi BaryszMatrix (‘i’, ‘SpAD’)
652   SpMAD_Dzi BaryszMatrix (‘i’, ‘SpMAD’)
653   LogEE_Dzi BaryszMatrix (‘i’, ‘LogEE’)
654   SM1_Dzi BaryszMatrix (‘i’, ‘SM1’)
655   VE1_Dzi BaryszMatrix (‘i’, ‘VE1’)
656   VE2_Dzi BaryszMatrix (‘i’, ‘VE2’)
657   VE3_Dzi BaryszMatrix (‘i’, ‘VE3’)
658   VR1_Dzi BaryszMatrix (‘i’, ‘VR1’)
659   VR2_Dzi BaryszMatrix (‘i’, ‘VR2’)
660   VR3_Dzi BaryszMatrix (‘i’, ‘VR3’)
661 BertzCT BertzCT BertzCT ()
662 BondCount nBonds BondCount (‘any’, False)
663   nBondsO BondCount (‘heavy’, False)
664   nBondsS BondCount (‘single’, False)
665   nBondsD BondCount (‘double’, False)
666   nBondsT BondCount (‘triple’, False)
667   nBondsA BondCount (‘aromatic’, False)
668   nBondsM BondCount (‘multiple’, False)
669   nBondsKS BondCount (‘single’, True)
670   nBondsKD BondCount (‘double’, True)
671 CarbonTypes C1SP1 CarbonTypes (1, 1)
672   C2SP1 CarbonTypes (2, 1)
673   C1SP2 CarbonTypes (1, 2)
674   C2SP2 CarbonTypes (2, 2)
675   C3SP2 CarbonTypes (3, 2)
676   C1SP3 CarbonTypes (1, 3)
677   C2SP3 CarbonTypes (2, 3)
678   C3SP3 CarbonTypes (3, 3)
679   C4SP3 CarbonTypes (4, 3)
680   HybRatio HybridizationRatio ()
681 Chi SCH-3 Chi (‘chain’, 3, ‘delta’, False)
682   SCH-4 Chi (‘chain’, 4, ‘delta’, False)
683   SCH-5 Chi (‘chain’, 5, ‘delta’, False)
684   SCH-6 Chi (‘chain’, 6, ‘delta’, False)
685   SCH-7 Chi (‘chain’, 7, ‘delta’, False)
686   VCH-3 Chi (‘chain’, 3, ‘delta_v’, False)
687   VCH-4 Chi (‘chain’, 4, ‘delta_v’, False)
688   VCH-5 Chi (‘chain’, 5, ‘delta_v’, False)
689   VCH-6 Chi (‘chain’, 6, ‘delta_v’, False)
690   VCH-7 Chi (‘chain’, 7, ‘delta_v’, False)
691   SC-3 Chi (‘cluster’, 3, ‘delta’, False)
692   SC-4 Chi (‘cluster’, 4, ‘delta’, False)
693   SC-5 Chi (‘cluster’, 5, ‘delta’, False)
694   SC-6 Chi (‘cluster’, 6, ‘delta’, False)
695   VC-3 Chi (‘cluster’, 3, ‘delta_v’, False)
696   VC-4 Chi (‘cluster’, 4, ‘delta_v’, False)
697   VC-5 Chi (‘cluster’, 5, ‘delta_v’, False)
698   VC-6 Chi (‘cluster’, 6, ‘delta_v’, False)
699   SPC-4 Chi (‘path_cluster’, 4, ‘delta’, False)
700   SPC-5 Chi (‘path_cluster’, 5, ‘delta’, False)
701   SPC-6 Chi (‘path_cluster’, 6, ‘delta’, False)
702   VPC-4 Chi (‘path_cluster’, 4, ‘delta_v’, False)
703   VPC-5 Chi (‘path_cluster’, 5, ‘delta_v’, False)
704   VPC-6 Chi (‘path_cluster’, 6, ‘delta_v’, False)
705   SP-0 Chi (‘path’, 0, ‘delta’, False)
706   SP-1 Chi (‘path’, 1, ‘delta’, False)
707   SP-2 Chi (‘path’, 2, ‘delta’, False)
708   SP-3 Chi (‘path’, 3, ‘delta’, False)
709   SP-4 Chi (‘path’, 4, ‘delta’, False)
710   SP-5 Chi (‘path’, 5, ‘delta’, False)
711   SP-6 Chi (‘path’, 6, ‘delta’, False)
712   SP-7 Chi (‘path’, 7, ‘delta’, False)
713   ASP-0 Chi (‘path’, 0, ‘delta’, True)
714   ASP-1 Chi (‘path’, 1, ‘delta’, True)
715   ASP-2 Chi (‘path’, 2, ‘delta’, True)
716   ASP-3 Chi (‘path’, 3, ‘delta’, True)
717   ASP-4 Chi (‘path’, 4, ‘delta’, True)
718   ASP-5 Chi (‘path’, 5, ‘delta’, True)
719   ASP-6 Chi (‘path’, 6, ‘delta’, True)
720   ASP-7 Chi (‘path’, 7, ‘delta’, True)
721   VP-0 Chi (‘path’, 0, ‘delta_v’, False)
722   VP-1 Chi (‘path’, 1, ‘delta_v’, False)
723   VP-2 Chi (‘path’, 2, ‘delta_v’, False)
724   VP-3 Chi (‘path’, 3, ‘delta_v’, False)
725   VP-4 Chi (‘path’, 4, ‘delta_v’, False)
726   VP-5 Chi (‘path’, 5, ‘delta_v’, False)
727   VP-6 Chi (‘path’, 6, ‘delta_v’, False)
728   VP-7 Chi (‘path’, 7, ‘delta_v’, False)
729   AVP-0 Chi (‘path’, 0, ‘delta_v’, True)
730   AVP-1 Chi (‘path’, 1, ‘delta_v’, True)
731   AVP-2 Chi (‘path’, 2, ‘delta_v’, True)
732   AVP-3 Chi (‘path’, 3, ‘delta_v’, True)
733   AVP-4 Chi (‘path’, 4, ‘delta_v’, True)
734   AVP-5 Chi (‘path’, 5, ‘delta_v’, True)
735   AVP-6 Chi (‘path’, 6, ‘delta_v’, True)
736   AVP-7 Chi (‘path’, 7, ‘delta_v’, True)
737 Constitutional SZ ConstitutionalSum (‘Z’)
738   Sm ConstitutionalSum (‘m’)
739   Sv ConstitutionalSum (‘v’)
740   Sse ConstitutionalSum (‘e’)
741   Spe ConstitutionalSum (‘pe’)
742   Sare ConstitutionalSum (‘are’)
743   Sp ConstitutionalSum (‘p’)
744   Si ConstitutionalSum (‘i’)
745   MZ ConstitutionalMean (‘Z’)
746   Mm ConstitutionalMean (‘m’)
747   Mv ConstitutionalMean (‘v’)
748   Mse ConstitutionalMean (‘e’)
749   Mpe ConstitutionalMean (‘pe’)
750   Mare ConstitutionalMean (‘are’)
751   Mp ConstitutionalMean (‘p’)
752   Mi ConstitutionalMean (‘i’)
753 DetourMatrix SpAbs_Dt DetourMatrix (‘SpAbs’)
754   SpMax_Dt DetourMatrix (‘SpMax’)
755   SpDiam_Dt DetourMatrix (‘SpDiam’)
756   SpAD_Dt DetourMatrix (‘SpAD’)
757   SpMAD_Dt DetourMatrix (‘SpMAD’)
758   LogEE_Dt DetourMatrix (‘LogEE’)
759   SM1_Dt DetourMatrix (‘SM1’)
760   VE1_Dt DetourMatrix (‘VE1’)
761   VE2_Dt DetourMatrix (‘VE2’)
762   VE3_Dt DetourMatrix (‘VE3’)
763   VR1_Dt DetourMatrix (‘VR1’)
764   VR2_Dt DetourMatrix (‘VR2’)
765   VR3_Dt DetourMatrix (‘VR3’)
766   DetourIndex DetourIndex ()
767 DistanceMatrix SpAbs_D DistanceMatrix (‘SpAbs’)
768   SpMax_D DistanceMatrix (‘SpMax’)
769   SpDiam_D DistanceMatrix (‘SpDiam’)
770   SpAD_D DistanceMatrix (‘SpAD’)
771   SpMAD_D DistanceMatrix (‘SpMAD’)
772   LogEE_D DistanceMatrix (‘LogEE’)
773   SM1_D DistanceMatrix (‘SM1’)
774   VE1_D DistanceMatrix (‘VE1’)
775   VE2_D DistanceMatrix (‘VE2’)
776   VE3_D DistanceMatrix (‘VE3’)
777   VR1_D DistanceMatrix (‘VR1’)
778   VR2_D DistanceMatrix (‘VR2’)
779   VR3_D DistanceMatrix (‘VR3’)
780 EState NsLi AtomTypeEState (‘count’, ‘sLi’)
781   NssBe AtomTypeEState (‘count’, ‘ssBe’)
782   NssssBe AtomTypeEState (‘count’, ‘ssssBe’)
783   NssBH AtomTypeEState (‘count’, ‘ssBH’)
784   NsssB AtomTypeEState (‘count’, ‘sssB’)
785   NssssB AtomTypeEState (‘count’, ‘ssssB’)
786   NsCH3 AtomTypeEState (‘count’, ‘sCH3’)
787   NdCH2 AtomTypeEState (‘count’, ‘dCH2’)
788   NssCH2 AtomTypeEState (‘count’, ‘ssCH2’)
789   NtCH AtomTypeEState (‘count’, ‘tCH’)
790   NdsCH AtomTypeEState (‘count’, ‘dsCH’)
791   NaaCH AtomTypeEState (‘count’, ‘aaCH’)
792   NsssCH AtomTypeEState (‘count’, ‘sssCH’)
793   NddC AtomTypeEState (‘count’, ‘ddC’)
794   NtsC AtomTypeEState (‘count’, ‘tsC’)
795   NdssC AtomTypeEState (‘count’, ‘dssC’)
796   NaasC AtomTypeEState (‘count’, ‘aasC’)
797   NaaaC AtomTypeEState (‘count’, ‘aaaC’)
798   NssssC AtomTypeEState (‘count’, ‘ssssC’)
799   NsNH3 AtomTypeEState (‘count’, ‘sNH3’)
800   NsNH2 AtomTypeEState (‘count’, ‘sNH2’)
801   NssNH2 AtomTypeEState (‘count’, ‘ssNH2’)
802   NdNH AtomTypeEState (‘count’, ‘dNH’)
803   NssNH AtomTypeEState (‘count’, ‘ssNH’)
804   NaaNH AtomTypeEState (‘count’, ‘aaNH’)
805   NtN AtomTypeEState (‘count’, ‘tN’)
806   NsssNH AtomTypeEState (‘count’, ‘sssNH’)
807   NdsN AtomTypeEState (‘count’, ‘dsN’)
808   NaaN AtomTypeEState (‘count’, ‘aaN’)
809   NsssN AtomTypeEState (‘count’, ‘sssN’)
810   NddsN AtomTypeEState (‘count’, ‘ddsN’)
811   NaasN AtomTypeEState (‘count’, ‘aasN’)
812   NssssN AtomTypeEState (‘count’, ‘ssssN’)
813   NsOH AtomTypeEState (‘count’, ‘sOH’)
814   NdO AtomTypeEState (‘count’, ‘dO’)
815   NssO AtomTypeEState (‘count’, ‘ssO’)
816   NaaO AtomTypeEState (‘count’, ‘aaO’)
817   NsF AtomTypeEState (‘count’, ‘sF’)
818   NsSiH3 AtomTypeEState (‘count’, ‘sSiH3’)
819   NssSiH2 AtomTypeEState (‘count’, ‘ssSiH2’)
820   NsssSiH AtomTypeEState (‘count’, ‘sssSiH’)
821   NssssSi AtomTypeEState (‘count’, ‘ssssSi’)
822   NsPH2 AtomTypeEState (‘count’, ‘sPH2’)
823   NssPH AtomTypeEState (‘count’, ‘ssPH’)
824   NsssP AtomTypeEState (‘count’, ‘sssP’)
825   NdsssP AtomTypeEState (‘count’, ‘dsssP’)
826   NsssssP AtomTypeEState (‘count’, ‘sssssP’)
827   NsSH AtomTypeEState (‘count’, ‘sSH’)
828   NdS AtomTypeEState (‘count’, ‘dS’)
829   NssS AtomTypeEState (‘count’, ‘ssS’)
830   NaaS AtomTypeEState (‘count’, ‘aaS’)
831   NdssS AtomTypeEState (‘count’, ‘dssS’)
832   NddssS AtomTypeEState (‘count’, ‘ddssS’)
833   NsCl AtomTypeEState (‘count’, ‘sCl’)
834   NsGeH3 AtomTypeEState (‘count’, ‘sGeH3’)
835   NssGeH2 AtomTypeEState (‘count’, ‘ssGeH2’)
836   NsssGeH AtomTypeEState (‘count’, ‘sssGeH’)
837   NssssGe AtomTypeEState (‘count’, ‘ssssGe’)
838   NsAsH2 AtomTypeEState (‘count’, ‘sAsH2’)
839   NssAsH AtomTypeEState (‘count’, ‘ssAsH’)
840   NsssAs AtomTypeEState (‘count’, ‘sssAs’)
841   NsssdAs AtomTypeEState (‘count’, ‘sssdAs’)
842   NsssssAs AtomTypeEState (‘count’, ‘sssssAs’)
843   NsSeH AtomTypeEState (‘count’, ‘sSeH’)
844   NdSe AtomTypeEState (‘count’, ‘dSe’)
845   NssSe AtomTypeEState (‘count’, ‘ssSe’)
846   NaaSe AtomTypeEState (‘count’, ‘aaSe’)
847   NdssSe AtomTypeEState (‘count’, ‘dssSe’)
848   NddssSe AtomTypeEState (‘count’, ‘ddssSe’)
849   NsBr AtomTypeEState (‘count’, ‘sBr’)
850   NsSnH3 AtomTypeEState (‘count’, ‘sSnH3’)
851   NssSnH2 AtomTypeEState (‘count’, ‘ssSnH2’)
852   NsssSnH AtomTypeEState (‘count’, ‘sssSnH’)
853   NssssSn AtomTypeEState (‘count’, ‘ssssSn’)
854   NsI AtomTypeEState (‘count’, ‘sI’)
855   NsPbH3 AtomTypeEState (‘count’, ‘sPbH3’)
856   NssPbH2 AtomTypeEState (‘count’, ‘ssPbH2’)
857   NsssPbH AtomTypeEState (‘count’, ‘sssPbH’)
858   NssssPb AtomTypeEState (‘count’, ‘ssssPb’)
859   SsLi AtomTypeEState (‘sum’, ‘sLi’)
860   SssBe AtomTypeEState (‘sum’, ‘ssBe’)
861   SssssBe AtomTypeEState (‘sum’, ‘ssssBe’)
862   SssBH AtomTypeEState (‘sum’, ‘ssBH’)
863   SsssB AtomTypeEState (‘sum’, ‘sssB’)
864   SssssB AtomTypeEState (‘sum’, ‘ssssB’)
865   SsCH3 AtomTypeEState (‘sum’, ‘sCH3’)
866   SdCH2 AtomTypeEState (‘sum’, ‘dCH2’)
867   SssCH2 AtomTypeEState (‘sum’, ‘ssCH2’)
868   StCH AtomTypeEState (‘sum’, ‘tCH’)
869   SdsCH AtomTypeEState (‘sum’, ‘dsCH’)
870   SaaCH AtomTypeEState (‘sum’, ‘aaCH’)
871   SsssCH AtomTypeEState (‘sum’, ‘sssCH’)
872   SddC AtomTypeEState (‘sum’, ‘ddC’)
873   StsC AtomTypeEState (‘sum’, ‘tsC’)
874   SdssC AtomTypeEState (‘sum’, ‘dssC’)
875   SaasC AtomTypeEState (‘sum’, ‘aasC’)
876   SaaaC AtomTypeEState (‘sum’, ‘aaaC’)
877   SssssC AtomTypeEState (‘sum’, ‘ssssC’)
878   SsNH3 AtomTypeEState (‘sum’, ‘sNH3’)
879   SsNH2 AtomTypeEState (‘sum’, ‘sNH2’)
880   SssNH2 AtomTypeEState (‘sum’, ‘ssNH2’)
881   SdNH AtomTypeEState (‘sum’, ‘dNH’)
882   SssNH AtomTypeEState (‘sum’, ‘ssNH’)
883   SaaNH AtomTypeEState (‘sum’, ‘aaNH’)
884   StN AtomTypeEState (‘sum’, ‘tN’)
885   SsssNH AtomTypeEState (‘sum’, ‘sssNH’)
886   SdsN AtomTypeEState (‘sum’, ‘dsN’)
887   SaaN AtomTypeEState (‘sum’, ‘aaN’)
888   SsssN AtomTypeEState (‘sum’, ‘sssN’)
889   SddsN AtomTypeEState (‘sum’, ‘ddsN’)
890   SaasN AtomTypeEState (‘sum’, ‘aasN’)
891   SssssN AtomTypeEState (‘sum’, ‘ssssN’)
892   SsOH AtomTypeEState (‘sum’, ‘sOH’)
893   SdO AtomTypeEState (‘sum’, ‘dO’)
894   SssO AtomTypeEState (‘sum’, ‘ssO’)
895   SaaO AtomTypeEState (‘sum’, ‘aaO’)
896   SsF AtomTypeEState (‘sum’, ‘sF’)
897   SsSiH3 AtomTypeEState (‘sum’, ‘sSiH3’)
898   SssSiH2 AtomTypeEState (‘sum’, ‘ssSiH2’)
899   SsssSiH AtomTypeEState (‘sum’, ‘sssSiH’)
900   SssssSi AtomTypeEState (‘sum’, ‘ssssSi’)
901   SsPH2 AtomTypeEState (‘sum’, ‘sPH2’)
902   SssPH AtomTypeEState (‘sum’, ‘ssPH’)
903   SsssP AtomTypeEState (‘sum’, ‘sssP’)
904   SdsssP AtomTypeEState (‘sum’, ‘dsssP’)
905   SsssssP AtomTypeEState (‘sum’, ‘sssssP’)
906   SsSH AtomTypeEState (‘sum’, ‘sSH’)
907   SdS AtomTypeEState (‘sum’, ‘dS’)
908   SssS AtomTypeEState (‘sum’, ‘ssS’)
909   SaaS AtomTypeEState (‘sum’, ‘aaS’)
910   SdssS AtomTypeEState (‘sum’, ‘dssS’)
911   SddssS AtomTypeEState (‘sum’, ‘ddssS’)
912   SsCl AtomTypeEState (‘sum’, ‘sCl’)
913   SsGeH3 AtomTypeEState (‘sum’, ‘sGeH3’)
914   SssGeH2 AtomTypeEState (‘sum’, ‘ssGeH2’)
915   SsssGeH AtomTypeEState (‘sum’, ‘sssGeH’)
916   SssssGe AtomTypeEState (‘sum’, ‘ssssGe’)
917   SsAsH2 AtomTypeEState (‘sum’, ‘sAsH2’)
918   SssAsH AtomTypeEState (‘sum’, ‘ssAsH’)
919   SsssAs AtomTypeEState (‘sum’, ‘sssAs’)
920   SsssdAs AtomTypeEState (‘sum’, ‘sssdAs’)
921   SsssssAs AtomTypeEState (‘sum’, ‘sssssAs’)
922   SsSeH AtomTypeEState (‘sum’, ‘sSeH’)
923   SdSe AtomTypeEState (‘sum’, ‘dSe’)
924   SssSe AtomTypeEState (‘sum’, ‘ssSe’)
925   SaaSe AtomTypeEState (‘sum’, ‘aaSe’)
926   SdssSe AtomTypeEState (‘sum’, ‘dssSe’)
927   SddssSe AtomTypeEState (‘sum’, ‘ddssSe’)
928   SsBr AtomTypeEState (‘sum’, ‘sBr’)
929   SsSnH3 AtomTypeEState (‘sum’, ‘sSnH3’)
930   SssSnH2 AtomTypeEState (‘sum’, ‘ssSnH2’)
931   SsssSnH AtomTypeEState (‘sum’, ‘sssSnH’)
932   SssssSn AtomTypeEState (‘sum’, ‘ssssSn’)
933   SsI AtomTypeEState (‘sum’, ‘sI’)
934   SsPbH3 AtomTypeEState (‘sum’, ‘sPbH3’)
935   SssPbH2 AtomTypeEState (‘sum’, ‘ssPbH2’)
936   SsssPbH AtomTypeEState (‘sum’, ‘sssPbH’)
937   SssssPb AtomTypeEState (‘sum’, ‘ssssPb’)
938   MAXsLi AtomTypeEState (‘max’, ‘sLi’)
939   MAXssBe AtomTypeEState (‘max’, ‘ssBe’)
940   MAXssssBe AtomTypeEState (‘max’, ‘ssssBe’)
941   MAXssBH AtomTypeEState (‘max’, ‘ssBH’)
942   MAXsssB AtomTypeEState (‘max’, ‘sssB’)
943   MAXssssB AtomTypeEState (‘max’, ‘ssssB’)
944   MAXsCH3 AtomTypeEState (‘max’, ‘sCH3’)
945   MAXdCH2 AtomTypeEState (‘max’, ‘dCH2’)
946   MAXssCH2 AtomTypeEState (‘max’, ‘ssCH2’)
947   MAXtCH AtomTypeEState (‘max’, ‘tCH’)
948   MAXdsCH AtomTypeEState (‘max’, ‘dsCH’)
949   MAXaaCH AtomTypeEState (‘max’, ‘aaCH’)
950   MAXsssCH AtomTypeEState (‘max’, ‘sssCH’)
951   MAXddC AtomTypeEState (‘max’, ‘ddC’)
952   MAXtsC AtomTypeEState (‘max’, ‘tsC’)
953   MAXdssC AtomTypeEState (‘max’, ‘dssC’)
954   MAXaasC AtomTypeEState (‘max’, ‘aasC’)
955   MAXaaaC AtomTypeEState (‘max’, ‘aaaC’)
956   MAXssssC AtomTypeEState (‘max’, ‘ssssC’)
957   MAXsNH3 AtomTypeEState (‘max’, ‘sNH3’)
958   MAXsNH2 AtomTypeEState (‘max’, ‘sNH2’)
959   MAXssNH2 AtomTypeEState (‘max’, ‘ssNH2’)
960   MAXdNH AtomTypeEState (‘max’, ‘dNH’)
961   MAXssNH AtomTypeEState (‘max’, ‘ssNH’)
962   MAXaaNH AtomTypeEState (‘max’, ‘aaNH’)
963   MAXtN AtomTypeEState (‘max’, ‘tN’)
964   MAXsssNH AtomTypeEState (‘max’, ‘sssNH’)
965   MAXdsN AtomTypeEState (‘max’, ‘dsN’)
966   MAXaaN AtomTypeEState (‘max’, ‘aaN’)
967   MAXsssN AtomTypeEState (‘max’, ‘sssN’)
968   MAXddsN AtomTypeEState (‘max’, ‘ddsN’)
969   MAXaasN AtomTypeEState (‘max’, ‘aasN’)
970   MAXssssN AtomTypeEState (‘max’, ‘ssssN’)
971   MAXsOH AtomTypeEState (‘max’, ‘sOH’)
972   MAXdO AtomTypeEState (‘max’, ‘dO’)
973   MAXssO AtomTypeEState (‘max’, ‘ssO’)
974   MAXaaO AtomTypeEState (‘max’, ‘aaO’)
975   MAXsF AtomTypeEState (‘max’, ‘sF’)
976   MAXsSiH3 AtomTypeEState (‘max’, ‘sSiH3’)
977   MAXssSiH2 AtomTypeEState (‘max’, ‘ssSiH2’)
978   MAXsssSiH AtomTypeEState (‘max’, ‘sssSiH’)
979   MAXssssSi AtomTypeEState (‘max’, ‘ssssSi’)
980   MAXsPH2 AtomTypeEState (‘max’, ‘sPH2’)
981   MAXssPH AtomTypeEState (‘max’, ‘ssPH’)
982   MAXsssP AtomTypeEState (‘max’, ‘sssP’)
983   MAXdsssP AtomTypeEState (‘max’, ‘dsssP’)
984   MAXsssssP AtomTypeEState (‘max’, ‘sssssP’)
985   MAXsSH AtomTypeEState (‘max’, ‘sSH’)
986   MAXdS AtomTypeEState (‘max’, ‘dS’)
987   MAXssS AtomTypeEState (‘max’, ‘ssS’)
988   MAXaaS AtomTypeEState (‘max’, ‘aaS’)
989   MAXdssS AtomTypeEState (‘max’, ‘dssS’)
990   MAXddssS AtomTypeEState (‘max’, ‘ddssS’)
991   MAXsCl AtomTypeEState (‘max’, ‘sCl’)
992   MAXsGeH3 AtomTypeEState (‘max’, ‘sGeH3’)
993   MAXssGeH2 AtomTypeEState (‘max’, ‘ssGeH2’)
994   MAXsssGeH AtomTypeEState (‘max’, ‘sssGeH’)
995   MAXssssGe AtomTypeEState (‘max’, ‘ssssGe’)
996   MAXsAsH2 AtomTypeEState (‘max’, ‘sAsH2’)
997   MAXssAsH AtomTypeEState (‘max’, ‘ssAsH’)
998   MAXsssAs AtomTypeEState (‘max’, ‘sssAs’)
999   MAXsssdAs AtomTypeEState (‘max’, ‘sssdAs’)
1000   MAXsssssAs AtomTypeEState (‘max’, ‘sssssAs’)
1001   MAXsSeH AtomTypeEState (‘max’, ‘sSeH’)
1002   MAXdSe AtomTypeEState (‘max’, ‘dSe’)
1003   MAXssSe AtomTypeEState (‘max’, ‘ssSe’)
1004   MAXaaSe AtomTypeEState (‘max’, ‘aaSe’)
1005   MAXdssSe AtomTypeEState (‘max’, ‘dssSe’)
1006   MAXddssSe AtomTypeEState (‘max’, ‘ddssSe’)
1007   MAXsBr AtomTypeEState (‘max’, ‘sBr’)
1008   MAXsSnH3 AtomTypeEState (‘max’, ‘sSnH3’)
1009   MAXssSnH2 AtomTypeEState (‘max’, ‘ssSnH2’)
1010   MAXsssSnH AtomTypeEState (‘max’, ‘sssSnH’)
1011   MAXssssSn AtomTypeEState (‘max’, ‘ssssSn’)
1012   MAXsI AtomTypeEState (‘max’, ‘sI’)
1013   MAXsPbH3 AtomTypeEState (‘max’, ‘sPbH3’)
1014   MAXssPbH2 AtomTypeEState (‘max’, ‘ssPbH2’)
1015   MAXsssPbH AtomTypeEState (‘max’, ‘sssPbH’)
1016   MAXssssPb AtomTypeEState (‘max’, ‘ssssPb’)
1017   MINsLi AtomTypeEState (‘min’, ‘sLi’)
1018   MINssBe AtomTypeEState (‘min’, ‘ssBe’)
1019   MINssssBe AtomTypeEState (‘min’, ‘ssssBe’)
1020   MINssBH AtomTypeEState (‘min’, ‘ssBH’)
1021   MINsssB AtomTypeEState (‘min’, ‘sssB’)
1022   MINssssB AtomTypeEState (‘min’, ‘ssssB’)
1023   MINsCH3 AtomTypeEState (‘min’, ‘sCH3’)
1024   MINdCH2 AtomTypeEState (‘min’, ‘dCH2’)
1025   MINssCH2 AtomTypeEState (‘min’, ‘ssCH2’)
1026   MINtCH AtomTypeEState (‘min’, ‘tCH’)
1027   MINdsCH AtomTypeEState (‘min’, ‘dsCH’)
1028   MINaaCH AtomTypeEState (‘min’, ‘aaCH’)
1029   MINsssCH AtomTypeEState (‘min’, ‘sssCH’)
1030   MINddC AtomTypeEState (‘min’, ‘ddC’)
1031   MINtsC AtomTypeEState (‘min’, ‘tsC’)
1032   MINdssC AtomTypeEState (‘min’, ‘dssC’)
1033   MINaasC AtomTypeEState (‘min’, ‘aasC’)
1034   MINaaaC AtomTypeEState (‘min’, ‘aaaC’)
1035   MINssssC AtomTypeEState (‘min’, ‘ssssC’)
1036   MINsNH3 AtomTypeEState (‘min’, ‘sNH3’)
1037   MINsNH2 AtomTypeEState (‘min’, ‘sNH2’)
1038   MINssNH2 AtomTypeEState (‘min’, ‘ssNH2’)
1039   MINdNH AtomTypeEState (‘min’, ‘dNH’)
1040   MINssNH AtomTypeEState (‘min’, ‘ssNH’)
1041   MINaaNH AtomTypeEState (‘min’, ‘aaNH’)
1042   MINtN AtomTypeEState (‘min’, ‘tN’)
1043   MINsssNH AtomTypeEState (‘min’, ‘sssNH’)
1044   MINdsN AtomTypeEState (‘min’, ‘dsN’)
1045   MINaaN AtomTypeEState (‘min’, ‘aaN’)
1046   MINsssN AtomTypeEState (‘min’, ‘sssN’)
1047   MINddsN AtomTypeEState (‘min’, ‘ddsN’)
1048   MINaasN AtomTypeEState (‘min’, ‘aasN’)
1049   MINssssN AtomTypeEState (‘min’, ‘ssssN’)
1050   MINsOH AtomTypeEState (‘min’, ‘sOH’)
1051   MINdO AtomTypeEState (‘min’, ‘dO’)
1052   MINssO AtomTypeEState (‘min’, ‘ssO’)
1053   MINaaO AtomTypeEState (‘min’, ‘aaO’)
1054   MINsF AtomTypeEState (‘min’, ‘sF’)
1055   MINsSiH3 AtomTypeEState (‘min’, ‘sSiH3’)
1056   MINssSiH2 AtomTypeEState (‘min’, ‘ssSiH2’)
1057   MINsssSiH AtomTypeEState (‘min’, ‘sssSiH’)
1058   MINssssSi AtomTypeEState (‘min’, ‘ssssSi’)
1059   MINsPH2 AtomTypeEState (‘min’, ‘sPH2’)
1060   MINssPH AtomTypeEState (‘min’, ‘ssPH’)
1061   MINsssP AtomTypeEState (‘min’, ‘sssP’)
1062   MINdsssP AtomTypeEState (‘min’, ‘dsssP’)
1063   MINsssssP AtomTypeEState (‘min’, ‘sssssP’)
1064   MINsSH AtomTypeEState (‘min’, ‘sSH’)
1065   MINdS AtomTypeEState (‘min’, ‘dS’)
1066   MINssS AtomTypeEState (‘min’, ‘ssS’)
1067   MINaaS AtomTypeEState (‘min’, ‘aaS’)
1068   MINdssS AtomTypeEState (‘min’, ‘dssS’)
1069   MINddssS AtomTypeEState (‘min’, ‘ddssS’)
1070   MINsCl AtomTypeEState (‘min’, ‘sCl’)
1071   MINsGeH3 AtomTypeEState (‘min’, ‘sGeH3’)
1072   MINssGeH2 AtomTypeEState (‘min’, ‘ssGeH2’)
1073   MINsssGeH AtomTypeEState (‘min’, ‘sssGeH’)
1074   MINssssGe AtomTypeEState (‘min’, ‘ssssGe’)
1075   MINsAsH2 AtomTypeEState (‘min’, ‘sAsH2’)
1076   MINssAsH AtomTypeEState (‘min’, ‘ssAsH’)
1077   MINsssAs AtomTypeEState (‘min’, ‘sssAs’)
1078   MINsssdAs AtomTypeEState (‘min’, ‘sssdAs’)
1079   MINsssssAs AtomTypeEState (‘min’, ‘sssssAs’)
1080   MINsSeH AtomTypeEState (‘min’, ‘sSeH’)
1081   MINdSe AtomTypeEState (‘min’, ‘dSe’)
1082   MINssSe AtomTypeEState (‘min’, ‘ssSe’)
1083   MINaaSe AtomTypeEState (‘min’, ‘aaSe’)
1084   MINdssSe AtomTypeEState (‘min’, ‘dssSe’)
1085   MINddssSe AtomTypeEState (‘min’, ‘ddssSe’)
1086   MINsBr AtomTypeEState (‘min’, ‘sBr’)
1087   MINsSnH3 AtomTypeEState (‘min’, ‘sSnH3’)
1088   MINssSnH2 AtomTypeEState (‘min’, ‘ssSnH2’)
1089   MINsssSnH AtomTypeEState (‘min’, ‘sssSnH’)
1090   MINssssSn AtomTypeEState (‘min’, ‘ssssSn’)
1091   MINsI AtomTypeEState (‘min’, ‘sI’)
1092   MINsPbH3 AtomTypeEState (‘min’, ‘sPbH3’)
1093   MINssPbH2 AtomTypeEState (‘min’, ‘ssPbH2’)
1094   MINsssPbH AtomTypeEState (‘min’, ‘sssPbH’)
1095   MINssssPb AtomTypeEState (‘min’, ‘ssssPb’)
1096 EccentricConnectivityIndex ECIndex EccentricConnectivityIndex ()
1097 ExtendedTopochemicalAtom ETA_alpha EtaCoreCount (False, False)
1098   ETA_alpha’ EtaCoreCount (True, False)
1099   ETA_shape_p EtaShapeIndex (‘p’)
1100   ETA_shape_y EtaShapeIndex (‘y’)
1101   ETA_shape_x EtaShapeIndex (‘x’)
1102   ETA_beta EtaVEMCount (‘’, False)
1103   ETA_beta’ EtaVEMCount (‘’, True)
1104   ETA_beta_s EtaVEMCount (‘s’, False)
1105   ETA_beta_s’ EtaVEMCount (‘s’, True)
1106   ETA_beta_ns EtaVEMCount (‘ns’, False)
1107   ETA_beta_ns’ EtaVEMCount (‘ns’, True)
1108   ETA_beta_ns_d EtaVEMCount (‘ns_d’, False)
1109   ETA_beta_ns_d’ EtaVEMCount (‘ns_d’, True)
1110   ETA_eta EtaCompositeIndex (False, False, False)
1111   ETA_eta’ EtaCompositeIndex (False, False, True)
1112   ETA_eta_L EtaCompositeIndex (False, True, False)
1113   ETA_eta_L’ EtaCompositeIndex (False, True, True)
1114   ETA_eta_R EtaCompositeIndex (True, False, False)
1115   ETA_eta_R’ EtaCompositeIndex (True, False, True)
1116   ETA_eta_RL EtaCompositeIndex (True, True, False)
1117   ETA_eta_RL’ EtaCompositeIndex (True, True, True)
1118   ETA_eta_F EtaFunctionalityIndex (False, False)
1119   ETA_eta_F’ EtaFunctionalityIndex (False, True)
1120   ETA_eta_FL EtaFunctionalityIndex (True, False)
1121   ETA_eta_FL’ EtaFunctionalityIndex (True, True)
1122   ETA_eta_B EtaBranchingIndex (False, False)
1123   ETA_eta_B’ EtaBranchingIndex (False, True)
1124   ETA_eta_BR EtaBranchingIndex (True, False)
1125   ETA_eta_BR’ EtaBranchingIndex (True, True)
1126   ETA_dAlpha_A EtaDeltaAlpha (‘A’)
1127   ETA_dAlpha_B EtaDeltaAlpha (‘B’)
1128   ETA_epsilon_1 EtaEpsilon (1)
1129   ETA_epsilon_2 EtaEpsilon (2)
1130   ETA_epsilon_3 EtaEpsilon (3)
1131   ETA_epsilon_4 EtaEpsilon (4)
1132   ETA_epsilon_5 EtaEpsilon (5)
1133   ETA_dEpsilon_A EtaDeltaEpsilon (‘A’)
1134   ETA_dEpsilon_B EtaDeltaEpsilon (‘B’)
1135   ETA_dEpsilon_C EtaDeltaEpsilon (‘C’)
1136   ETA_dEpsilon_D EtaDeltaEpsilon (‘D’)
1137   ETA_dBeta EtaDeltaBeta (False)
1138   ETA_dBeta’ EtaDeltaBeta (True)
1139   ETA_psi_1 EtaPsi ()
1140   ETA_dPsi_A EtaDeltaPsi (‘A’)
1141   ETA_dPsi_B EtaDeltaPsi (‘B’)
1142 FragmentComplexity fragCpx FragmentComplexity ()
1143 Framework fMF Framework ()
1144 HydrogenBond nHBAcc HBondAcceptor ()
1145   nHBDon HBondDonor ()
1146 InformationContent IC0 InformationContent (0)
1147   IC1 InformationContent (1)
1148   IC2 InformationContent (2)
1149   IC3 InformationContent (3)
1150   IC4 InformationContent (4)
1151   IC5 InformationContent (5)
1152   TIC0 TotalIC (0)
1153   TIC1 TotalIC (1)
1154   TIC2 TotalIC (2)
1155   TIC3 TotalIC (3)
1156   TIC4 TotalIC (4)
1157   TIC5 TotalIC (5)
1158   SIC0 StructuralIC (0)
1159   SIC1 StructuralIC (1)
1160   SIC2 StructuralIC (2)
1161   SIC3 StructuralIC (3)
1162   SIC4 StructuralIC (4)
1163   SIC5 StructuralIC (5)
1164   BIC0 BondingIC (0)
1165   BIC1 BondingIC (1)
1166   BIC2 BondingIC (2)
1167   BIC3 BondingIC (3)
1168   BIC4 BondingIC (4)
1169   BIC5 BondingIC (5)
1170   CIC0 ComplementaryIC (0)
1171   CIC1 ComplementaryIC (1)
1172   CIC2 ComplementaryIC (2)
1173   CIC3 ComplementaryIC (3)
1174   CIC4 ComplementaryIC (4)
1175   CIC5 ComplementaryIC (5)
1176   MIC0 ModifiedIC (0)
1177   MIC1 ModifiedIC (1)
1178   MIC2 ModifiedIC (2)
1179   MIC3 ModifiedIC (3)
1180   MIC4 ModifiedIC (4)
1181   MIC5 ModifiedIC (5)
1182   ZMIC0 ZModifiedIC (0)
1183   ZMIC1 ZModifiedIC (1)
1184   ZMIC2 ZModifiedIC (2)
1185   ZMIC3 ZModifiedIC (3)
1186   ZMIC4 ZModifiedIC (4)
1187   ZMIC5 ZModifiedIC (5)
1188 KappaShapeIndex Kier1 KappaShapeIndex1 ()
1189   Kier2 KappaShapeIndex2 ()
1190   Kier3 KappaShapeIndex3 ()
1191 Lipinski Lipinski Lipinski ()
1192   GhoseFilter GhoseFilter ()
1193 McGowanVolume VMcGowan McGowanVolume ()
1194 MoeType LabuteASA LabuteASA ()
1195   PEOE_VSA1 PEOE_VSA (1)
1196   PEOE_VSA2 PEOE_VSA (2)
1197   PEOE_VSA3 PEOE_VSA (3)
1198   PEOE_VSA4 PEOE_VSA (4)
1199   PEOE_VSA5 PEOE_VSA (5)
1200   PEOE_VSA6 PEOE_VSA (6)
1201   PEOE_VSA7 PEOE_VSA (7)
1202   PEOE_VSA8 PEOE_VSA (8)
1203   PEOE_VSA9 PEOE_VSA (9)
1204   PEOE_VSA10 PEOE_VSA (10)
1205   PEOE_VSA11 PEOE_VSA (11)
1206   PEOE_VSA12 PEOE_VSA (12)
1207   PEOE_VSA13 PEOE_VSA (13)
1208   SMR_VSA1 SMR_VSA (1)
1209   SMR_VSA2 SMR_VSA (2)
1210   SMR_VSA3 SMR_VSA (3)
1211   SMR_VSA4 SMR_VSA (4)
1212   SMR_VSA5 SMR_VSA (5)
1213   SMR_VSA6 SMR_VSA (6)
1214   SMR_VSA7 SMR_VSA (7)
1215   SMR_VSA8 SMR_VSA (8)
1216   SMR_VSA9 SMR_VSA (9)
1217   SlogP_VSA1 SlogP_VSA (1)
1218   SlogP_VSA2 SlogP_VSA (2)
1219   SlogP_VSA3 SlogP_VSA (3)
1220   SlogP_VSA4 SlogP_VSA (4)
1221   SlogP_VSA5 SlogP_VSA (5)
1222   SlogP_VSA6 SlogP_VSA (6)
1223   SlogP_VSA7 SlogP_VSA (7)
1224   SlogP_VSA8 SlogP_VSA (8)
1225   SlogP_VSA9 SlogP_VSA (9)
1226   SlogP_VSA10 SlogP_VSA (10)
1227   SlogP_VSA11 SlogP_VSA (11)
1228   EState_VSA1 EState_VSA (1)
1229   EState_VSA2 EState_VSA (2)
1230   EState_VSA3 EState_VSA (3)
1231   EState_VSA4 EState_VSA (4)
1232   EState_VSA5 EState_VSA (5)
1233   EState_VSA6 EState_VSA (6)
1234   EState_VSA7 EState_VSA (7)
1235   EState_VSA8 EState_VSA (8)
1236   EState_VSA9 EState_VSA (9)
1237   EState_VSA10 EState_VSA (10)
1238   VSA_EState1 VSA_EState (1)
1239   VSA_EState2 VSA_EState (2)
1240   VSA_EState3 VSA_EState (3)
1241   VSA_EState4 VSA_EState (4)
1242   VSA_EState5 VSA_EState (5)
1243   VSA_EState6 VSA_EState (6)
1244   VSA_EState7 VSA_EState (7)
1245   VSA_EState8 VSA_EState (8)
1246   VSA_EState9 VSA_EState (9)
1247 MolecularDistanceEdge MDEC-11 MolecularDistanceEdge (1, 1, 6)
1248   MDEC-12 MolecularDistanceEdge (1, 2, 6)
1249   MDEC-13 MolecularDistanceEdge (1, 3, 6)
1250   MDEC-14 MolecularDistanceEdge (1, 4, 6)
1251   MDEC-22 MolecularDistanceEdge (2, 2, 6)
1252   MDEC-23 MolecularDistanceEdge (2, 3, 6)
1253   MDEC-24 MolecularDistanceEdge (2, 4, 6)
1254   MDEC-33 MolecularDistanceEdge (3, 3, 6)
1255   MDEC-34 MolecularDistanceEdge (3, 4, 6)
1256   MDEC-44 MolecularDistanceEdge (4, 4, 6)
1257   MDEO-11 MolecularDistanceEdge (1, 1, 8)
1258   MDEO-12 MolecularDistanceEdge (1, 2, 8)
1259   MDEO-22 MolecularDistanceEdge (2, 2, 8)
1260   MDEN-11 MolecularDistanceEdge (1, 1, 7)
1261   MDEN-12 MolecularDistanceEdge (1, 2, 7)
1262   MDEN-13 MolecularDistanceEdge (1, 3, 7)
1263   MDEN-22 MolecularDistanceEdge (2, 2, 7)
1264   MDEN-23 MolecularDistanceEdge (2, 3, 7)
1265   MDEN-33 MolecularDistanceEdge (3, 3, 7)
1266 MolecularId MID MolecularId (‘any’, False, 1e-10)
1267   AMID MolecularId (‘any’, True, 1e-10)
1268   MID_h MolecularId (‘hetero’, False, 1e-10)
1269   AMID_h MolecularId (‘hetero’, True, 1e-10)
1270   MID_C MolecularId (‘C’, False, 1e-10)
1271   AMID_C MolecularId (‘C’, True, 1e-10)
1272   MID_N MolecularId (‘N’, False, 1e-10)
1273   AMID_N MolecularId (‘N’, True, 1e-10)
1274   MID_O MolecularId (‘O’, False, 1e-10)
1275   AMID_O MolecularId (‘O’, True, 1e-10)
1276   MID_X MolecularId (‘X’, False, 1e-10)
1277   AMID_X MolecularId (‘X’, True, 1e-10)
1278 PathCount MPC2 PathCount (2, False, False, False)
1279   MPC3 PathCount (3, False, False, False)
1280   MPC4 PathCount (4, False, False, False)
1281   MPC5 PathCount (5, False, False, False)
1282   MPC6 PathCount (6, False, False, False)
1283   MPC7 PathCount (7, False, False, False)
1284   MPC8 PathCount (8, False, False, False)
1285   MPC9 PathCount (9, False, False, False)
1286   MPC10 PathCount (10, False, False, False)
1287   TMPC10 PathCount (10, False, True, False)
1288   piPC1 PathCount (1, True, False, True)
1289   piPC2 PathCount (2, True, False, True)
1290   piPC3 PathCount (3, True, False, True)
1291   piPC4 PathCount (4, True, False, True)
1292   piPC5 PathCount (5, True, False, True)
1293   piPC6 PathCount (6, True, False, True)
1294   piPC7 PathCount (7, True, False, True)
1295   piPC8 PathCount (8, True, False, True)
1296   piPC9 PathCount (9, True, False, True)
1297   piPC10 PathCount (10, True, False, True)
1298   TpiPC10 PathCount (10, True, True, True)
1299 Polarizability apol APol (False)
1300   bpol BPol (False)
1301 RingCount nRing RingCount (None, False, False, None, None)
1302   n3Ring RingCount (3, False, False, None, None)
1303   n4Ring RingCount (4, False, False, None, None)
1304   n5Ring RingCount (5, False, False, None, None)
1305   n6Ring RingCount (6, False, False, None, None)
1306   n7Ring RingCount (7, False, False, None, None)
1307   n8Ring RingCount (8, False, False, None, None)
1308   n9Ring RingCount (9, False, False, None, None)
1309   n10Ring RingCount (10, False, False, None, None)
1310   n11Ring RingCount (11, False, False, None, None)
1311   n12Ring RingCount (12, False, False, None, None)
1312   nG12Ring RingCount (12, True, False, None, None)
1313   nHRing RingCount (None, False, False, None, True)
1314   n3HRing RingCount (3, False, False, None, True)
1315   n4HRing RingCount (4, False, False, None, True)
1316   n5HRing RingCount (5, False, False, None, True)
1317   n6HRing RingCount (6, False, False, None, True)
1318   n7HRing RingCount (7, False, False, None, True)
1319   n8HRing RingCount (8, False, False, None, True)
1320   n9HRing RingCount (9, False, False, None, True)
1321   n10HRing RingCount (10, False, False, None, True)
1322   n11HRing RingCount (11, False, False, None, True)
1323   n12HRing RingCount (12, False, False, None, True)
1324   nG12HRing RingCount (12, True, False, None, True)
1325   naRing RingCount (None, False, False, True, None)
1326   n3aRing RingCount (3, False, False, True, None)
1327   n4aRing RingCount (4, False, False, True, None)
1328   n5aRing RingCount (5, False, False, True, None)
1329   n6aRing RingCount (6, False, False, True, None)
1330   n7aRing RingCount (7, False, False, True, None)
1331   n8aRing RingCount (8, False, False, True, None)
1332   n9aRing RingCount (9, False, False, True, None)
1333   n10aRing RingCount (10, False, False, True, None)
1334   n11aRing RingCount (11, False, False, True, None)
1335   n12aRing RingCount (12, False, False, True, None)
1336   nG12aRing RingCount (12, True, False, True, None)
1337   naHRing RingCount (None, False, False, True, True)
1338   n3aHRing RingCount (3, False, False, True, True)
1339   n4aHRing RingCount (4, False, False, True, True)
1340   n5aHRing RingCount (5, False, False, True, True)
1341   n6aHRing RingCount (6, False, False, True, True)
1342   n7aHRing RingCount (7, False, False, True, True)
1343   n8aHRing RingCount (8, False, False, True, True)
1344   n9aHRing RingCount (9, False, False, True, True)
1345   n10aHRing RingCount (10, False, False, True, True)
1346   n11aHRing RingCount (11, False, False, True, True)
1347   n12aHRing RingCount (12, False, False, True, True)
1348   nG12aHRing RingCount (12, True, False, True, True)
1349   nARing RingCount (None, False, False, False, None)
1350   n3ARing RingCount (3, False, False, False, None)
1351   n4ARing RingCount (4, False, False, False, None)
1352   n5ARing RingCount (5, False, False, False, None)
1353   n6ARing RingCount (6, False, False, False, None)
1354   n7ARing RingCount (7, False, False, False, None)
1355   n8ARing RingCount (8, False, False, False, None)
1356   n9ARing RingCount (9, False, False, False, None)
1357   n10ARing RingCount (10, False, False, False, None)
1358   n11ARing RingCount (11, False, False, False, None)
1359   n12ARing RingCount (12, False, False, False, None)
1360   nG12ARing RingCount (12, True, False, False, None)
1361   nAHRing RingCount (None, False, False, False, True)
1362   n3AHRing RingCount (3, False, False, False, True)
1363   n4AHRing RingCount (4, False, False, False, True)
1364   n5AHRing RingCount (5, False, False, False, True)
1365   n6AHRing RingCount (6, False, False, False, True)
1366   n7AHRing RingCount (7, False, False, False, True)
1367   n8AHRing RingCount (8, False, False, False, True)
1368   n9AHRing RingCount (9, False, False, False, True)
1369   n10AHRing RingCount (10, False, False, False, True)
1370   n11AHRing RingCount (11, False, False, False, True)
1371   n12AHRing RingCount (12, False, False, False, True)
1372   nG12AHRing RingCount (12, True, False, False, True)
1373   nFRing RingCount (None, False, True, None, None)
1374   n4FRing RingCount (4, False, True, None, None)
1375   n5FRing RingCount (5, False, True, None, None)
1376   n6FRing RingCount (6, False, True, None, None)
1377   n7FRing RingCount (7, False, True, None, None)
1378   n8FRing RingCount (8, False, True, None, None)
1379   n9FRing RingCount (9, False, True, None, None)
1380   n10FRing RingCount (10, False, True, None, None)
1381   n11FRing RingCount (11, False, True, None, None)
1382   n12FRing RingCount (12, False, True, None, None)
1383   nG12FRing RingCount (12, True, True, None, None)
1384   nFHRing RingCount (None, False, True, None, True)
1385   n4FHRing RingCount (4, False, True, None, True)
1386   n5FHRing RingCount (5, False, True, None, True)
1387   n6FHRing RingCount (6, False, True, None, True)
1388   n7FHRing RingCount (7, False, True, None, True)
1389   n8FHRing RingCount (8, False, True, None, True)
1390   n9FHRing RingCount (9, False, True, None, True)
1391   n10FHRing RingCount (10, False, True, None, True)
1392   n11FHRing RingCount (11, False, True, None, True)
1393   n12FHRing RingCount (12, False, True, None, True)
1394   nG12FHRing RingCount (12, True, True, None, True)
1395   nFaRing RingCount (None, False, True, True, None)
1396   n4FaRing RingCount (4, False, True, True, None)
1397   n5FaRing RingCount (5, False, True, True, None)
1398   n6FaRing RingCount (6, False, True, True, None)
1399   n7FaRing RingCount (7, False, True, True, None)
1400   n8FaRing RingCount (8, False, True, True, None)
1401   n9FaRing RingCount (9, False, True, True, None)
1402   n10FaRing RingCount (10, False, True, True, None)
1403   n11FaRing RingCount (11, False, True, True, None)
1404   n12FaRing RingCount (12, False, True, True, None)
1405   nG12FaRing RingCount (12, True, True, True, None)
1406   nFaHRing RingCount (None, False, True, True, True)
1407   n4FaHRing RingCount (4, False, True, True, True)
1408   n5FaHRing RingCount (5, False, True, True, True)
1409   n6FaHRing RingCount (6, False, True, True, True)
1410   n7FaHRing RingCount (7, False, True, True, True)
1411   n8FaHRing RingCount (8, False, True, True, True)
1412   n9FaHRing RingCount (9, False, True, True, True)
1413   n10FaHRing RingCount (10, False, True, True, True)
1414   n11FaHRing RingCount (11, False, True, True, True)
1415   n12FaHRing RingCount (12, False, True, True, True)
1416   nG12FaHRing RingCount (12, True, True, True, True)
1417   nFARing RingCount (None, False, True, False, None)
1418   n4FARing RingCount (4, False, True, False, None)
1419   n5FARing RingCount (5, False, True, False, None)
1420   n6FARing RingCount (6, False, True, False, None)
1421   n7FARing RingCount (7, False, True, False, None)
1422   n8FARing RingCount (8, False, True, False, None)
1423   n9FARing RingCount (9, False, True, False, None)
1424   n10FARing RingCount (10, False, True, False, None)
1425   n11FARing RingCount (11, False, True, False, None)
1426   n12FARing RingCount (12, False, True, False, None)
1427   nG12FARing RingCount (12, True, True, False, None)
1428   nFAHRing RingCount (None, False, True, False, True)
1429   n4FAHRing RingCount (4, False, True, False, True)
1430   n5FAHRing RingCount (5, False, True, False, True)
1431   n6FAHRing RingCount (6, False, True, False, True)
1432   n7FAHRing RingCount (7, False, True, False, True)
1433   n8FAHRing RingCount (8, False, True, False, True)
1434   n9FAHRing RingCount (9, False, True, False, True)
1435   n10FAHRing RingCount (10, False, True, False, True)
1436   n11FAHRing RingCount (11, False, True, False, True)
1437   n12FAHRing RingCount (12, False, True, False, True)
1438   nG12FAHRing RingCount (12, True, True, False, True)
1439 RotatableBond nRot RotatableBondsCount ()
1440   RotRatio RotatableBondsRatio ()
1441 SLogP SLogP SLogP ()
1442   SMR SMR ()
1443 TPSA TPSA(NO) TPSA (True)
1444   TPSA TPSA (False)
1445 TopologicalCharge GGI1 TopologicalCharge (‘raw’, 1)
1446   GGI2 TopologicalCharge (‘raw’, 2)
1447   GGI3 TopologicalCharge (‘raw’, 3)
1448   GGI4 TopologicalCharge (‘raw’, 4)
1449   GGI5 TopologicalCharge (‘raw’, 5)
1450   GGI6 TopologicalCharge (‘raw’, 6)
1451   GGI7 TopologicalCharge (‘raw’, 7)
1452   GGI8 TopologicalCharge (‘raw’, 8)
1453   GGI9 TopologicalCharge (‘raw’, 9)
1454   GGI10 TopologicalCharge (‘raw’, 10)
1455   JGI1 TopologicalCharge (‘mean’, 1)
1456   JGI2 TopologicalCharge (‘mean’, 2)
1457   JGI3 TopologicalCharge (‘mean’, 3)
1458   JGI4 TopologicalCharge (‘mean’, 4)
1459   JGI5 TopologicalCharge (‘mean’, 5)
1460   JGI6 TopologicalCharge (‘mean’, 6)
1461   JGI7 TopologicalCharge (‘mean’, 7)
1462   JGI8 TopologicalCharge (‘mean’, 8)
1463   JGI9 TopologicalCharge (‘mean’, 9)
1464   JGI10 TopologicalCharge (‘mean’, 10)
1465   JGT10 TopologicalCharge (‘global’, 10)
1466 TopologicalIndex Radius Radius ()
1467   Diameter Diameter ()
1468   TopoShapeIndex TopologicalShapeIndex ()
1469   PetitjeanIndex PetitjeanIndex ()
1470 VdwVolumeABC Vabc VdwVolumeABC ()
1471 VertexAdjacencyInformation VAdjMat VertexAdjacencyInformation ()
1472 WalkCount MWC01 WalkCount (1, False, False)
1473   MWC02 WalkCount (2, False, False)
1474   MWC03 WalkCount (3, False, False)
1475   MWC04 WalkCount (4, False, False)
1476   MWC05 WalkCount (5, False, False)
1477   MWC06 WalkCount (6, False, False)
1478   MWC07 WalkCount (7, False, False)
1479   MWC08 WalkCount (8, False, False)
1480   MWC09 WalkCount (9, False, False)
1481   MWC10 WalkCount (10, False, False)
1482   TMWC10 WalkCount (10, True, False)
1483   SRW02 WalkCount (2, False, True)
1484   SRW03 WalkCount (3, False, True)
1485   SRW04 WalkCount (4, False, True)
1486   SRW05 WalkCount (5, False, True)
1487   SRW06 WalkCount (6, False, True)
1488   SRW07 WalkCount (7, False, True)
1489   SRW08 WalkCount (8, False, True)
1490   SRW09 WalkCount (9, False, True)
1491   SRW10 WalkCount (10, False, True)
1492   TSRW10 WalkCount (10, True, True)
1493 Weight MW Weight (False)
1494   AMW Weight (True)
1495 WienerIndex WPath WienerIndex (False)
1496   WPol WienerIndex (True)
1497 ZagrebIndex Zagreb1 ZagrebIndex (1, 1)
1498   Zagreb2 ZagrebIndex (2, 1)
1499   mZagreb1 ZagrebIndex (1, -1)
1500   mZagreb2 ZagrebIndex (2, -1)