Enumeration of 166 billion organic small molecules in the chemical universe database GDB-17

Journal of Chemical Information and Modeling

Volumn 52, Issue 11, 2012, Pages 2864-2875

  Ruddigkeit, Lars ^a   Van Deursen, Ruud ^b   Blum, Lorenz C ^a   Reymond, Jean Louis ^a  

^a UNIVERSITY OF BERN   (Switzerland)

^b EPFL   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

ISOMERS; LEAD COMPOUNDS; SCAFFOLDS; STEREOCHEMISTRY;

ATTRITION RATE; CHEMICAL SPACE; DRUG MOLECULES; HETEROCYCLES; MEDICINAL CHEMISTRY; ORGANIC SMALL MOLECULE; QUATERNARY CENTERS; SHAPE SIMILARITY;

MOLECULES;

PRESCRIPTION DRUG;

ARTICLE; CHEMICAL DATABASE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DRUG DATABASE; DRUG DESIGN; STEREOISOMERISM; STRUCTURE ACTIVITY RELATION;

COMPUTER SIMULATION; DATABASES, CHEMICAL; DATABASES, PHARMACEUTICAL; DRUG DESIGN; MODELS, CHEMICAL; MOLECULAR STRUCTURE; PRESCRIPTION DRUGS; STEREOISOMERISM; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84869987352     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci300415d     Document Type: Article

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