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: | 89136-90-3 | |
|---|---|---|
| Name: | 6-Methylheptyl 3-sulfanylpropanoate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 89136-90-3 | |
| InChi Code: | InChI=1S/C11H22O2S/c1-10(2)6-4-3-5-8-13-11(12)7-9-14/h10,14H,3-9H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.001078423 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |