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: | 141-22-0 | |
|---|---|---|
| Name: | (9Z,12R)-12-Hydroxyoctadec-9-enoic acid | |
| Description: | ||
| Labels: | training | |
| CAS: | 141-22-0 | |
| InChi Code: | InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-/t17-/m1/s1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.006390922 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |