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: | 54-11-5 | |
|---|---|---|
| Name: | Nicotine | |
| Description: | ||
| Labels: | training | |
| CAS: | 54-11-5 | |
| InChi Code: | InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.064740509 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |