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: | 125-12-2 | |
|---|---|---|
| Name: | Isobornyl acetate | |
| Description: | ||
| Labels: | training | |
| CAS: | 125-12-2 | |
| InChi Code: | InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10-,12+/m1/s1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.056155897 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |