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: | 20780-48-7 | |
|---|---|---|
| Name: | 3,7-Dimethyloctan-3-yl acetate | |
| Description: | ||
| Labels: | training | |
| CAS: | 20780-48-7 | |
| InChi Code: | InChI=1S/C12H24O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h10H,6-9H2,1-5H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.002533826 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |