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: | 73-31-4 | |
|---|---|---|
| Name: | Melatonin | |
| Description: | ||
| Labels: | training | |
| CAS: | 73-31-4 | |
| InChi Code: | InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.098162155 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |