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: | 57-97-6 | |
|---|---|---|
| Name: | 7,12-Dimethylbenz(a)anthracene | |
| Description: | ||
| Labels: | training | |
| CAS: | 57-97-6 | |
| InChi Code: | InChI=1S/C20H16/c1-13-16-8-5-6-9-17(16)14(2)20-18(13)12-11-15-7-3-4-10-19(15)20/h3-12H,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.175497687 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |