10967/235 - QDB Compounds

QsarDB Repository

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:3031-66-1
Name:Hex-3-yne-2,5-diol
Description:
Labels:eval
CAS:3031-66-1
InChi Code:InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h5-8H,1-2H3

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
1

experimental value

0

Procedure_13: Multivariate Logistic Regression Model (Evaluation set)