Virtual Computational Chemistry Laboratory

E-Dragon Groups of Indices Contributor

DRAGON descriptors

All molecular descriptors are subdivided into 20 logical blocks.




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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