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: | 81777-89-1 | |
|---|---|---|
| Name: | Clomazone | |
| Description: | ||
| Labels: | training | |
| CAS: | 81777-89-1 | |
| InChi Code: | InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.613718864 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |