Mining electronic laboratory notebooks: Analysis, retrosynthesis, and reaction based enumeration

Journal of Chemical Information and Modeling

Volumn 52, Issue 7, 2012, Pages 1745-1756

  Christ, Clara D ^a   Zentgraf, Matthias ^a   Kriegl, Jan M ^a  

^a BOEHRINGER INGELHEIM PHARMA GMBH AND CO KG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMISTRY;

CHEMICAL SPACE; DIVERSE PROPERTIES; ELECTRONIC LABORATORY NOTEBOOK; REACTION RULES; REACTION SEQUENCES; REACTION TYPES; RETROSYNTHESIS; STRONG DEPENDENCES;

CHEMICAL ENGINEERING;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; DATA MINING; DOCUMENTATION; ELECTRICAL EQUIPMENT; MEDICAL TECHNOLOGY; METHODOLOGY; MEDICINAL CHEMISTRY; PROCEDURES;

CHEMISTRY, PHARMACEUTICAL; DATA MINING; DOCUMENTATION; ELECTRICAL EQUIPMENT AND SUPPLIES; MEDICAL LABORATORY SCIENCE; MOLECULAR STRUCTURE;

EID: 84864201010     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci300116p     Document Type: Article

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