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: | 140462-76-6 | |
|---|---|---|
| Name: | Olopatadine hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 140462-76-6 | |
| InChi Code: | InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.086716077 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |