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: | 659-70-1 | |
|---|---|---|
| Name: | 3-Methylbutyl 3-methylbutanoate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 659-70-1 | |
| InChi Code: | InChI=1S/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.000792402 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |