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: | 78-63-7 | |
|---|---|---|
| Name: | 2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane | |
| Description: | ||
| Labels: | training | |
| CAS: | 78-63-7 | |
| InChi Code: | InChI=1S/C16H34O4/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6/h11-12H2,1-10H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.007137174 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |