Garcia-Sosa, A. T.; Maran, U. Combined Naïve Bayesian, chemical fingerprints, and molecular docking classifiers to model and predict androgen receptor binding activity data for environmentally- and health-sensitive substances. Int. J. Mol. Sci. 2021, 22, 6695.
Compound
| ID: | 203866-13-1 | |
|---|---|---|
| Name: | 1,2-Pyrrolidinedicarboxylicacid,4-fluoro-,1-(1,1-dimethylethyl)ester,(2S,4S)- | |
| Description: | ||
| Labels: | eval | |
| CAS: | 203866-13-1 | |
| InChi Code: | InChI=1S/C10H16FNO4/c1-10(2,3)16-9(15)12-5-6(11)4-7(12)8(13)14/h6-7H,4-5H2,1-3H3,(H,13,14) |
Properties
BindingClass: Activity in Androgen Receptor
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0 |
Procedure_13: Multivariate Logistic Regression Model (Evaluation set) |