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Similarity Searching Using Fingerprints of Molecular Fragments Involved in Protein-Ligand Interactions.
Lu Tan
Eugen Lounkine
Jürgen Bajorath
Published in:
J. Chem. Inf. Model. (2008)
Keyphrases
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virtual screening
similarity searching
chemical structures
similarity search
protein protein
metric space
drug discovery
search tools
multimedia databases
access methods
binding sites
high throughput
similarity queries
distance function
database
indexing techniques
relational databases
high dimensional