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Using Transition State Modeling To Predict Mutagenicity for Michael Acceptors.
Timothy E. H. Allen
Matthew N. Grayson
Jonathan M. Goodman
Steve Gutsell
Paul J. Russell
Published in:
J. Chem. Inf. Model. (2018)
Keyphrases
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state space
machine learning
genetic algorithm
dynamic programming
artificial intelligence
relational databases
special case
modeling framework
state transitions
transition model