Enumeration of ring-chain tautomers based on SMIRKS rules

Journal of Chemical Information and Modeling

Volumn 54, Issue 9, 2014, Pages 2423-2432

  Guasch, Laura ^a   Sitzmann, Markus ^a,b   Nicklaus, Marc C ^a  

^a NATIONAL CANCER INSTITUTE   (United States)

^b FIZ Karlsruhe Leibniz Institute for Information Infrastructure GmbH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; SCREENING;

CHEMOINFORMATICS; HEAVY ATOMS; HYDROGEN ATOMS; INTRAMOLECULAR MOVEMENT; LARGE DATABASE; RING CLOSURE REACTIONS; RING-CHAIN TAUTOMERISM; TAUTOMERIC TRANSFORMATION;

DEUTERIUM COMPOUNDS;

CHEMICAL DATABASE; CONFORMATION; CYCLIZATION; VALIDATION STUDY;

CYCLIZATION; DATABASES, CHEMICAL; MOLECULAR CONFORMATION;

EID: 84916606354     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci500363p     Document Type: Article

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