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Similarity Searching of Chemical Databases Using Atom Environment Descriptors (MOLPRINT 2D): Evaluation of Performance.
Andreas Bender
Hamse Y. Mussa
Robert C. Glen
Stephan Reiling
Published in:
J. Chem. Inf. Model. (2004)
Keyphrases
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similarity searching
chemical structures
databases
virtual screening
similarity search
chemical compounds
metric space
database systems
data model
neural network
information retrieval
relational databases
indexing techniques
data sources
similarity queries