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: | 302-79-4 | |
|---|---|---|
| Name: | all-trans-Retinoic acid | |
| Description: | ||
| Labels: | training | |
| CAS: | 302-79-4 | |
| InChi Code: | InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+ |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.092238415 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |