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: | 60142-96-3 | |
|---|---|---|
| Name: | Gabapentin | |
| Description: | ||
| Labels: | eval | |
| CAS: | 60142-96-3 | |
| InChi Code: | InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.003153492 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |