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Pattern-free generation and quantum mechanical scoring of ring-chain tautomers.
Daniel S. Levine
Mark A. Watson
Leif D. Jacobson
Claire E. Dickerson
Haoyu S. Yu
Art D. Bochevarov
Published in:
J. Comput. Aided Mol. Des. (2021)
Keyphrases
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quantum mechanics
pattern matching
generation process
generation algorithm
data sets
multiscale
quantum computing
data mining
machine learning
information retrieval
genetic algorithm
image processing
probabilistic model
quantum computation
scoring model