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: | 94-59-7 | |
|---|---|---|
| Name: | Safrole | |
| Description: | ||
| Labels: | training | |
| CAS: | 94-59-7 | |
| InChi Code: | InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.040155837 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |