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:31430-18-9
Name:Nocodazole
Description:
Labels:eval
CAS:31430-18-9
InChi Code:InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
1

experimental value

0

Procedure_13: Multivariate Logistic Regression Model (Evaluation set)