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

From: ILPC: simple chemometric tool supporting the design of ionic liquids

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