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: | 4196-89-8 | |
|---|---|---|
| Name: | Neopentyl glycol dibenzoate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 4196-89-8 | |
| InChi Code: | InChI=1S/C19H20O4/c1-19(2,13-22-17(20)15-9-5-3-6-10-15)14-23-18(21)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.178099123 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |