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: | 6846-50-0 | |
|---|---|---|
| Name: | 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate | |
| Description: | ||
| Labels: | training | |
| CAS: | 6846-50-0 | |
| InChi Code: | InChI=1S/C16H30O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10-13H,9H2,1-8H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.005748339 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |