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: | 487-93-4 | |
|---|---|---|
| Name: | Bufotenine | |
| Description: | ||
| Labels: | eval | |
| CAS: | 487-93-4 | |
| InChi Code: | InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.243756176 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |