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: | 263553-33-9 | |
|---|---|---|
| Name: | GW473178E methyl benzene sulphonic acid | |
| Description: | ||
| Labels: | training | |
| CAS: | 263553-33-9 | |
| InChi Code: | InChI=1S/C21H29N3O2/c1-6-24(15(2)3)21(25)18-11-16(4)12-20(13-18)26-14-17(5)23-19-7-9-22-10-8-19/h7-13,15,17H,6,14H2,1-5H3,(H,22,23)/t17-/m0/s1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.085411789 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |