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: | 111-12-6 | |
|---|---|---|
| Name: | Methyl 2-octynoate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 111-12-6 | |
| InChi Code: | InChI=1S/C9H14O2/c1-3-4-5-6-7-8-9(10)11-2/h3-6H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.002289876 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |