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: | 62-97-5 | |
|---|---|---|
| Name: | Diphemanil methylsulfate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 62-97-5 | |
| InChi Code: | InChI=1S/C20H24N/c1-21(2)15-13-19(14-16-21)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3/q+1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.045494591 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |