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: | 90-72-2 | |
|---|---|---|
| Name: | 2,4,6-Tris(dimethylaminomethyl)phenol | |
| Description: | ||
| Labels: | training | |
| CAS: | 90-72-2 | |
| InChi Code: | InChI=1S/C15H27N3O/c1-16(2)9-12-7-13(10-17(3)4)15(19)14(8-12)11-18(5)6/h7-8,19H,9-11H2,1-6H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.082777177 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |