Table 1 Features of PaDEL descriptors used in this study.
From: Structure-based design and classifications of small molecules regulating the circadian rhythm period
Type of descriptors | Number of descriptors |
|---|---|
E-state | 568 |
Autocorrelation | 346 |
Topological | 266 |
Constitutional | 120 |
Burden | 96 |
Connectivity | 56 |
Basak | 42 |
Molecular property | 15 |
Amino acid count | 13 |
BCUT | 6 |
Quantum chemical | 6 |
Kappa | 3 |
IP Molecular Learning | 1 |
