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Fragment-based Shape Signatures: a new tool for virtual screening and drug discovery.
Randy J. Zauhar
Eleonora Gianti
William J. Welsh
Published in:
J. Comput. Aided Mol. Des. (2013)
Keyphrases
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drug discovery
virtual screening
similarity searching
chemical compounds
early stage
high throughput
scientific data
scoring function
data mining
biological systems
binding sites
data mining tools
discovery process