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: | 10595-72-9 | |
|---|---|---|
| Name: | Di(tridecyl) thiodipropionate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 10595-72-9 | |
| InChi Code: | InChI=1S/C32H62O4S/c1-3-5-7-9-11-13-15-17-19-21-23-27-35-31(33)25-29-37-30-26-32(34)36-28-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3 |
Properties
BindingClass: Activity in Androgen Receptor
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0 |
Procedure_13: Multivariate Logistic Regression Model (Evaluation set) |