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: | 548-62-9 | |
|---|---|---|
| Name: | Gentian Violet | |
| Description: | ||
| Labels: | eval | |
| CAS: | 548-62-9 | |
| InChi Code: | InChI=1S/C25H30N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18H,1-6H3/q+1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.113960596 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |