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: | NOCAS_47385 | |
|---|---|---|
| Name: | SAR377142 | |
| Description: | ||
| Labels: | training | |
| CAS: | ||
| InChi Code: | InChI=1S/C26H33ClN6O4/c1-17(2)32-8-6-20(7-9-32)30-26(35)21-12-18-13-25(37-11-10-36-3)29-15-22(18)33(21)16-24(34)31-23-5-4-19(27)14-28-23/h4-5,12-15,17,20H,6-11,16H2,1-3H3,(H,30,35)(H,28,31,34) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.302257213 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |