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: | 1178-29-6 | |
|---|---|---|
| Name: | Metoserpate hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 1178-29-6 | |
| InChi Code: | InChI=1S/C24H32N2O5/c1-28-14-5-6-15-16-7-8-26-12-13-9-20(29-2)23(30-3)21(24(27)31-4)17(13)11-19(26)22(16)25-18(15)10-14/h5-6,10,13,17,19-21,23,25H,7-9,11-12H2,1-4H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.145770795 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |