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Rationalizing the Role of SAR Tolerance for Ligand-Based Virtual Screening.
Peter Ripphausen
Britta Nisius
Mathias Wawer
Jürgen Bajorath
Published in:
J. Chem. Inf. Model. (2011)
Keyphrases
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statistical methods
virtual screening
drug discovery
chemical structures
similarity searching
high throughput
biological data
binding sites
scoring function
data mining techniques
similarity search
database
data analysis
data collection