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Fingerprint Scaling Increases the Probability of Identifying Molecules with Similar Activity in Virtual Screening Calculations.
Ling Xue
Florence L. Stahura
Jeffrey W. Godden
Jürgen Bajorath
Published in:
J. Chem. Inf. Comput. Sci. (2001)
Keyphrases
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virtual screening
drug discovery
chemical structures
similarity searching
high throughput
binding sites
database
metadata
similarity search