Garcia-Sosa, A. T.; Maran, U. Using combined docking, chemical fingerprints, and Bayesian classifiers for the androgen receptor binding activity of the CoMPARA data. Toxicological Sciences 2020.
Compound
| ID: | 588941-45-1 | |
|---|---|---|
| Name: | PharmaGSID_48506 | |
| Description: | ||
| Labels: | training | |
| CAS: | 588941-45-1 | |
| InChi Code: | InChI=1S/C19H22ClN3O3S/c1-27(25,26)17-7-6-14(11-16(17)20)15(10-13-4-2-3-5-13)19(24)23-18-12-21-8-9-22-18/h6-9,11-13,15H,2-5,10H2,1H3,(H,22,23,24)/t15-/m1/s1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.291472877 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |