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: | 473-32-5 | |
|---|---|---|
| Name: | Chaulmosulfone | |
| Description: | ||
| Labels: | eval | |
| CAS: | 473-32-5 | |
| InChi Code: | InChI=1S/C48H76N2O4S/c51-47(31-19-15-11-7-3-1-5-9-13-17-25-41-27-21-22-28-41)49-43-33-37-45(38-34-43)55(53,54)46-39-35-44(36-40-46)50-48(52)32-20-16-12-8-4-2-6-10-14-18-26-42-29-23-24-30-42/h33-42H,1-32H2,(H,49,51)(H,50,52) |
Properties
BindingClass: Activity in Androgen Receptor
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0 |
Procedure_13: Multivariate Logistic Regression Model (Evaluation set) |