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SMIfp (SMILES fingerprint) Chemical Space for Virtual Screening and Visualization of Large Databases of Organic Molecules.
Julian Schwartz
Mahendra Awale
Jean-Louis Reymond
Published in:
J. Chem. Inf. Model. (2013)
Keyphrases
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virtual screening
drug discovery
chemical structures
similarity searching
binding sites
high throughput
databases
scoring function
chemical compounds
vector space
similarity search
optimal assignment
data analysis
gene expression
data collection
low dimensional
association rules