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: | 36431-72-8 | |
|---|---|---|
| Name: | Theaspirane | |
| Description: | ||
| Labels: | eval | |
| CAS: | 36431-72-8 | |
| InChi Code: | InChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h6,11H,5,7-9H2,1-4H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.054752673 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |