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: | 7220-79-3 | |
|---|---|---|
| Name: | Methylene Blue trihydrate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 7220-79-3 | |
| InChi Code: | InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.088612266 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |