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Similarity Searching in Files of Three-Dimensional Chemical Structures. Alignment of Molecular Electrostatic Potential Fields with a Genetic Algorithm.
David J. Wild
Peter Willett
Published in:
J. Chem. Inf. Comput. Sci. (1996)
Keyphrases
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chemical structures
similarity searching
virtual screening
similarity search
drug discovery
metric space
access methods
search tools
database
multimedia databases
high throughput
binding sites
file system
databases
distance function
similarity queries
high dimensional
chemical compounds
data mining