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Exploring the ability of machine learning-based virtual screening models to identify the functional groups responsible for binding.
Thomas E. Hadfield
Jack Scantlebury
Charlotte M. Deane
Published in:
J. Cheminformatics (2023)
Keyphrases
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machine learning
machine learning methods
computational models
decision trees
bayesian networks
probabilistic model
model selection
knowledge discovery
supervised learning
multi dimensional
machine learning algorithms