Hit expansion approaches using multiple similarity methods and virtualized query structures

Journal of Chemical Information and Modeling

Volumn 53, Issue 5, 2013, Pages 1057-1066

  Bergner, Andreas ^a,b   Parel, Serge P ^a,c  

^a BioFocus DPI   (United Kingdom)

^b Boehringer IngelheimRCV GmbH and Co KG   (Austria)

^c Exquiron Biotech AG   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ENGINEERING; CHEMISTRY;

ACTIVE CHEMICALS; COMPLEMENTARY SIMILARITIES; EXPANSION METHODS; HIGH THROUGHPUT SCREENING; PARALLEL EXECUTIONS; RULE-BASED METHOD; SIMILARITY SEARCH; VIRTUAL SCREENING;

GRAPHIC METHODS;

HISTONE DEMETHYLASE; HISTONE LYSINE METHYLTRANSFERASE; LIGAND;

COMPUTER INTERFACE; DRUG DATABASE; DRUG EFFECTS; DRUG SCREENING; GENETIC EPIGENESIS; METABOLISM; PROCEDURES; ARTICLE; DRUG EFFECT; METHODOLOGY;

DATABASES, PHARMACEUTICAL; DRUG EVALUATION, PRECLINICAL; EPIGENESIS, GENETIC; HISTONE DEMETHYLASES; HISTONE-LYSINE N-METHYLTRANSFERASE; LIGANDS; USER-COMPUTER INTERFACE;

EID: 84878177204     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci400059p     Document Type: Article

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