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: | 34451-19-9 | |
|---|---|---|
| Name: | Butyl (2S)-2-hydroxypropanoate | |
| Description: | ||
| Labels: | training | |
| CAS: | 34451-19-9 | |
| InChi Code: | InChI=1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3/t6-/m0/s1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.001446491 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |