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 |