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: | 6217-54-5 | |
|---|---|---|
| Name: | Docosahexaenoic acid | |
| Description: | ||
| Labels: | eval | |
| CAS: | 6217-54-5 | |
| InChi Code: | InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.009661179 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |