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: | 89-87-2 | |
|---|---|---|
| Name: | 1,3-Dimethyl-4-nitrobenzene | |
| Description: | ||
| Labels: | training | |
| CAS: | 89-87-2 | |
| InChi Code: | InChI=1S/C8H9NO2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.032814134 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |