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BigSMARTS: A Topologically Aware Query Language and Substructure Search Algorithm for Polymer Chemical Structures.
Nathan J. Rebello
Tzyy-Shyang Lin
Heeba Nazeer
Bradley D. Olsen
Published in:
J. Chem. Inf. Model. (2023)
Keyphrases
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chemical structures
query language
search algorithm
data model
chemical compounds
combining multiple clusterings
virtual screening
similarity searching
graph data
query evaluation
graph databases
regular expressions
search space
database
search tree
xml data
drug discovery
multi dimensional