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Similarity searching in files of three-dimensional chemical structures: Comparison of fragment-based measures of shape similarity.
Peter A. Bath
Andrew R. Poirrette
Peter Willett
Frank H. Allen
Published in:
J. Chem. Inf. Comput. Sci. (1994)
Keyphrases
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chemical structures
similarity searching
similarity search
virtual screening
metric space
chemical compounds
search tools
data sets
similarity queries
multimedia databases
dynamic time warping
database
file system
access methods
drug discovery
distance function
data structure
metadata
feature selection