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: | 33820-53-0 | |
|---|---|---|
| Name: | Isopropalin | |
| Description: | ||
| Labels: | training | |
| CAS: | 33820-53-0 | |
| InChi Code: | InChI=1S/C15H23N3O4/c1-5-7-16(8-6-2)15-13(17(19)20)9-12(11(3)4)10-14(15)18(21)22/h9-11H,5-8H2,1-4H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.066653933 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |