ILPC: simple chemometric tool supporting the design of ionic liquids

Table 2 Groups and numbers of calculated descriptors for each ion [58]

Group	Number of cation descriptors	Number of anion descriptors	Total
Constitutional indices	41	41	82
Ring descriptors	18	18	36
Topological indices	69	69	138
Walk and path counts	44	44	88
Information indices	46	46	92
2D autocorrelations	149	149	298
Burden eigenvalues	64	64	128
Geometrical descriptors	26	26	52
RDF descriptors	150	150	300
3D MoRSE descriptors	160	160	320
WHIM descriptors	82	82	164
GATEWAY descriptors	208	208	416
Randic molecular profiles	41	41	82
Functional group counts	26	26	52
Atom-centered fragments	36	36	72
Atom-type E-state indices	36	36	72
CATS 2D	62	62	124
2D atom pairs	193	193	386
3D atom pairs	11	11	22
Sum	1462	1462	2924

ISSN: 1758-2946