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Table 1 Type and number of drug molecule descriptors

From: Quantitative prediction model for affinity of drug–target interactions based on molecular vibrations and overall system of ligand-receptor

Serial number

Descriptor type

Number of descriptors

1

Constitutional descriptors

120

2

Autocorrelation descriptors

346

3

Basak descriptors

42

4

BCUT descriptors

6

5

Burden descriptors

96

6

Connectivity descriptors

56

7

E-state descriptors

489

8

Kappa descriptors

3

9

Molecular property descriptors

15

10

Quantum chemical descriptors

5

11

Topological descriptors

265

12

CPSA descriptors

29

13

RDF descriptors

210

14

Geometrical descriptors

21

15

WHIM descriptors

91

16

3D Autocorrelation descriptors

80