Data mining the Cambridge Structural Database for hydrate–anhydrate pairs with SMILES strings
Jen E. Werner, Jennifer A. Swift
Abstract
A search method based on SMILES string matching was developed to identify hydrate–anhydrate structure pairs in the Cambridge Structure Database.
Topics & Concepts
HydrateString (physics)Computer scienceDatabaseData miningChemistryPhysicsTheoretical physicsOrganic chemistryMethane Hydrates and Related PhenomenaHydrocarbon exploration and reservoir analysisGenomics and Phylogenetic Studies