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: | 486-56-6 | |
|---|---|---|
| Name: | Cotinine | |
| Description: | ||
| Labels: | training | |
| CAS: | 486-56-6 | |
| InChi Code: | InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.100893185 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |