Estimation of Molecular Similarity Based on 4D-QSAR Analysis: Formalism and Validation.

José S. Duca Anton J. Hopfinger

Published in: J. Chem. Inf. Comput. Sci. (2001)

Keyphrases

statistical analysis
database
artificial intelligence
three dimensional
formal model
model validation
real time
databases
neural network
real world
multi agent
description logics
estimation error
drug design
molecular structures