Efficient substructure searching of large chemical libraries: The ABCD chemical cartridge

Journal of Chemical Information and Modeling

Volumn 51, Issue 12, 2011, Pages 3113-3130

  Agrafiotis, Dimitris K ^a   Lobanov, Victor S ^a   Shemanarev, Maxim ^a   Rassokhin, Dmitrii N ^a   Izrailev, Sergei ^a   Jaeger, Edward P ^a   Alex, Simson ^a   Farnum, Michael ^a  

^a JOHNSON AND JOHNSON PHARMACEUTICAL RESEARCH AND DEVELOPMENT   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACCEPTANCE TESTS; CONFORMAL MAPPING; COST ESTIMATING; INDEXING (OF INFORMATION); INFORMATION MANAGEMENT; PROJECTILES; QUERY LANGUAGES; QUERY PROCESSING;

CHEMICAL INFORMATION; CHEMICAL LIBRARIES; MAPPING ALGORITHMS; PHARMACEUTICAL RESEARCH; RELATIONAL DATABASE; SEARCH CAPABILITIES; SUBGRAPH ISOMORPHISM PROBLEM; USER ACCEPTANCE TESTING;

SEARCH ENGINES;

ALGORITHM; ARTICLE; CHEMISTRY; DRUG DEVELOPMENT; ECONOMICS; FACTUAL DATABASE; INFORMATION SCIENCE; METHODOLOGY; MOLECULAR LIBRARY; TIME;

ALGORITHMS; DATABASES, FACTUAL; DRUG DISCOVERY; INFORMATICS; SMALL MOLECULE LIBRARIES; TIME FACTORS;

EID: 84555177520     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci200413e     Document Type: Article

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