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: | 7195-27-9 | |
|---|---|---|
| Name: | Mefruside | |
| Description: | ||
| Labels: | eval | |
| CAS: | 7195-27-9 | |
| InChi Code: | InChI=1S/C13H19ClN2O5S2/c1-13(6-3-7-21-13)9-16(2)23(19,20)10-4-5-11(14)12(8-10)22(15,17)18/h4-5,8H,3,6-7,9H2,1-2H3,(H2,15,17,18) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.446955592 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |