ZINC - A free database of commercially available compounds for virtual screening

Journal of Chemical Information and Modeling

Volumn 45, Issue 1, 2005, Pages 177-182

  Irwin, John J ^a   Shoichet, Brian K ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR STATE; PROTONATION; REGIOCHEMICAL; VIRTUAL SCREENING;

ALGORITHMS; DRUG DOSAGE; ISOMERS; MOLECULAR WEIGHT; MOLECULES; SALTS; STEREOCHEMISTRY;

CHEMICAL COMPOUNDS;

ARTICLE; CHEMICAL STRUCTURE; CONFORMATION; DRUG DESIGN; ECONOMICS; FACTUAL DATABASE; LIBRARY;

DATABASES, FACTUAL; DRUG DESIGN; LIBRARIES, DIGITAL; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE;

EID: 13844312649     PISSN: 15499596     EISSN: 15205142     Source Type: Journal    
DOI: 10.1021/ci049714+     Document Type: Article

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