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: | 597-09-1 | |
|---|---|---|
| Name: | 2-Ethyl-2-nitro-1,3-propanediol | |
| Description: | ||
| Labels: | eval | |
| CAS: | 597-09-1 | |
| InChi Code: | InChI=1S/C5H11NO4/c1-2-5(3-7,4-8)6(9)10/h7-8H,2-4H2,1H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.004515505 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |