Chemical Similarity Searching.

Peter Willett John M. Barnard Geoffrey M. Downs

Published in: J. Chem. Inf. Comput. Sci. (1998)

Keyphrases

similarity searching
virtual screening
chemical structures
similarity search
metric space
search tools
partial match queries
access methods
drug discovery
neural network
similarity queries
image database
chemical compounds
vector space
distance function
user interface
high dimensional
data structure