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: | 68052-23-3 | |
|---|---|---|
| Name: | 2,2,4-Trimethylpentane-1,3-diyl dibenzoate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 68052-23-3 | |
| InChi Code: | InChI=1S/C22H26O4/c1-16(2)19(26-21(24)18-13-9-6-10-14-18)22(3,4)15-25-20(23)17-11-7-5-8-12-17/h5-14,16,19H,15H2,1-4H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.099156749 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |