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: | 122-34-9 | |
|---|---|---|
| Name: | Simazine | |
| Description: | ||
| Labels: | training | |
| CAS: | 122-34-9 | |
| InChi Code: | InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.009267154 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |