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: | 81-15-2 | |
|---|---|---|
| Name: | 2,4,6-Trinitro-1,3-dimethyl-5-tert-butylbenzene | |
| Description: | ||
| Labels: | eval | |
| CAS: | 81-15-2 | |
| InChi Code: | InChI=1S/C12H15N3O6/c1-6-9(13(16)17)7(2)11(15(20)21)8(12(3,4)5)10(6)14(18)19/h1-5H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.009230807 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |