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: | 58430-94-7 | |
|---|---|---|
| Name: | 3,5,5-Trimethylhexyl acetate | |
| Description: | ||
| Labels: | training | |
| CAS: | 58430-94-7 | |
| InChi Code: | InChI=1S/C11H22O2/c1-9(8-11(3,4)5)6-7-13-10(2)12/h9H,6-8H2,1-5H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.001564745 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |