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Towards a Classification Scheme for Inferring the Atomic Composition of Drug-like Molecules from their Quantum Derived Electronic Properties.
Alain B. Tchagang
Julio J. Valdés
Published in:
CIBCB (2022)
Keyphrases
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classification scheme
classification schemes
classification method
desirable properties
physico chemical
clustering algorithm
chemical compounds
feature selection
music genre classification
virtual screening
pharmaceutical industry
decision trees
pairwise
small number
quantum computation
ligand docking