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: | 71441-28-6 | |
|---|---|---|
| Name: | Arotinoid acid | |
| Description: | ||
| Labels: | eval | |
| CAS: | 71441-28-6 | |
| InChi Code: | InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.251448716 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |