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: | 43222-48-6 | |
|---|---|---|
| Name: | Difenzoquat metilsulfate | |
| Description: | ||
| Labels: | training | |
| CAS: | 43222-48-6 | |
| InChi Code: | InChI=1S/C17H17N2/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15/h3-13H,1-2H3/q+1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.097287521 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |