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: | 4940-11-8 | |
|---|---|---|
| Name: | 2-Ethyl-3-hydroxy-4H-pyran-4-one | |
| Description: | ||
| Labels: | training | |
| CAS: | 4940-11-8 | |
| InChi Code: | InChI=1S/C7H8O3/c1-2-6-7(9)5(8)3-4-10-6/h3-4,9H,2H2,1H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.054371291 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |