Virtual Computational Chemistry Laboratory

E-Dragon Groups of Indices Contributor


DRAGON descriptors

All molecular descriptors are subdivided into 20 logical blocks.

N

Group

Count

1Constitutional descriptors48
2Topological descriptors119
3Walk and path counts47
4Connectivity indices33
5Information indices47
62D autocorrelations96
7Edge adjacency indices107
8BCUT descriptors64
9Topological charge indices21
10Eigenvalue-based indices44
11Randic molecular profiles41
12Geometrical descriptors74
13RDF descriptors150
143D-MoRSE descriptors160
15WHIM descriptors99
16GETAWAY descriptors197
17Functional group counts121
18Atom-centred fragments120
19Charge descriptors14
20Molecular properties28+2*

*- ALOGPS logP and logS values are also calculated as two additional descriptors. See FAQ if you have questions. How to cite this applet? Are you looking for a new job in chemoinformatics?

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