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: | 67024-46-8 | |
|---|---|---|
| Name: | Propan-2-yl 2-ethylhexanoate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 67024-46-8 | |
| InChi Code: | InChI=1S/C11H22O2/c1-5-7-8-10(6-2)11(12)13-9(3)4/h9-10H,5-8H2,1-4H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.001169309 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |