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Exploration of Ultralarge Compound Collections for Drug Discovery.
Wendy A. Warr
Marc C. Nicklaus
Christos A. Nicolaou
Matthias Rarey
Published in:
J. Chem. Inf. Model. (2022)
Keyphrases
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drug discovery
discovery process
chemical compounds
early stage
virtual screening
pharmaceutical industry
biological systems
systems biology
information retrieval
document collections
data mining
scientific data
data mining tools
metadata
knowledge discovery
bayesian networks