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: | 56-55-3 | |
|---|---|---|
| Name: | Benz(a)anthracene | |
| Description: | ||
| Labels: | training | |
| CAS: | 56-55-3 | |
| InChi Code: | InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.137842071 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |