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: | 2545-59-7 | |
|---|---|---|
| Name: | 2,4,5-T-butotyl | |
| Description: | ||
| Labels: | eval | |
| CAS: | 2545-59-7 | |
| InChi Code: | InChI=1S/C14H17Cl3O4/c1-2-3-4-19-5-6-20-14(18)9-21-13-8-11(16)10(15)7-12(13)17/h7-8H,2-6,9H2,1H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.095810943 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |