|
ID Block |
Block description |
Descriptor list |
References |
Desc. No. |
|
1 |
constitutional descriptors |
|
|
48 |
|
2 |
topological descriptors |
|
|
119 |
|
3 |
walk and path counts |
|
|
47 |
|
4 |
connectivity indices |
|
|
33 |
|
5 |
information indices |
|
|
47 |
|
6 |
2D autocorrelations |
|
|
96 |
|
7 |
edge adjacency indices |
|
|
107 |
|
8 |
Burden eigenvalue descriptors |
|
|
64 |
|
9 |
topological charge indices |
|
|
21 |
|
10 |
eigenvalue-based indices |
|
|
44 |
|
11 |
Randic molecular profiles |
|
|
41 |
|
12 |
geometrical descriptors |
|
|
74 |
|
13 |
RDF descriptors |
|
|
150 |
|
14 |
3D-MoRSE descriptors |
|
|
160 |
|
15 |
WHIM descriptors |
|
|
99 |
|
16 |
GETAWAY descriptors |
|
|
197 |
|
17 |
functional group counts |
|
|
154 |
|
18 |
atom-centred fragments |
|
|
120 |
|
19 |
charge descriptors |
|
|
14 |
|
20 |
molecular properties |
|
|
29 |