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Quantum Isostere Database: A Web-Based Tool Using Quantum Chemical Topology To Predict Bioisosteric Replacements for Drug Design.
Michael Devereux
Paul L. A. Popelier
Iain M. McLay
Published in:
J. Chem. Inf. Model. (2009)
Keyphrases
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database
drug design
databases
drug discovery
database systems
data sets
protein structure prediction
data analysis
pairwise
data model