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Protein-Ligand Empirical Interaction Components for Virtual Screening.
Yuna Yan
Weijun Wang
Zhaoxi Sun
John Z. H. Zhang
Changge Ji
Published in:
J. Chem. Inf. Model. (2017)
Keyphrases
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virtual screening
drug discovery
chemical structures
similarity searching
high throughput
binding sites
scoring function
machine learning
similarity search
data structure
multi dimensional
graphical models
data collection
early stage
metric space
reverse engineering