Kernel-based estimation of the applicability domain of QSAR models.

Nikolas Fechner Georg Hinselmann Andreas Jahn Andreas Zell

Published in: J. Cheminformatics (2010)

Keyphrases

data sets
monte carlo simulation
case study
expert systems
online learning
prior knowledge
conceptual models
parametric models
computational models
domain experts
parameter estimation
domain specific
bayesian networks
e learning
genetic algorithm
machine learning
real world