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Molecular Similarity Searching Using COSMO Screening Charges (COSMO/3PP).
Andreas Bender
Andreas Klamt
Karin Wichmann
Michael Thormann
Robert C. Glen
Published in:
CompLife (2005)
Keyphrases
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similarity searching
virtual screening
drug discovery
similarity search
chemical structures
metric space
search tools
access methods
multimedia databases
knn
biological sequences
similarity queries
chemical compounds