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: | 3302-10-1 | |
|---|---|---|
| Name: | 3,5,5-Trimethylhexanoic acid | |
| Description: | ||
| Labels: | eval | |
| CAS: | 3302-10-1 | |
| InChi Code: | InChI=1S/C9H18O2/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3,(H,10,11) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.002317082 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |