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: | 81-23-2 | |
|---|---|---|
| Name: | Dehydrocholic acid | |
| Description: | ||
| Labels: | eval | |
| CAS: | 81-23-2 | |
| InChi Code: | InChI=1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.047087219 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |