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: | 77-49-6 | |
|---|---|---|
| Name: | 2-Methyl-2-nitro-1,3-propanediol | |
| Description: | ||
| Labels: | eval | |
| CAS: | 77-49-6 | |
| InChi Code: | InChI=1S/C4H9NO4/c1-4(2-6,3-7)5(8)9/h6-7H,2-3H2,1H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.005506155 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |