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Implicit-descriptor ligand-based virtual screening by means of collaborative filtering.
Raghuram Srinivas
Pavel V. Klimovich
Eric C. Larson
Published in:
J. Cheminformatics (2018)
Keyphrases
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virtual screening
collaborative filtering
drug discovery
chemical structures
similarity searching
high throughput
recommender systems
binding sites
scoring function
chemical compounds
databases
feature extraction
gene expression
optimal assignment
association rules
similarity search