Stochastic voyages into uncharted chemical space produce a representative library of all possible drug-like compounds

Journal of the American Chemical Society

Volumn 135, Issue 19, 2013, Pages 7296-7303

  Virshup, Aaron M ^a,b   Contreras García, Julia ^a,b,c   Wipf, Peter ^a   Yang, Weitao ^a,b   Beratan, David N ^a  

^a UNIVERSITY OF PITTSBURGH   (United States)

^b DUKE UNIVERSITY   (United States)

^c SORBONNE UNIVERSITÉ   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL LIBRARIES; CHEMICAL SPACE; ORGANIC MOLECULES; SMALL MOLECULES; STOCHASTIC SEARCH; SYSTEMATIC SEARCHES;

MOLECULES; SPACE RESEARCH; STOCHASTIC SYSTEMS;

CHEMICAL COMPOUNDS;

DRUG;

ALGORITHM; ARTICLE; DRUG STRUCTURE; MOLECULAR LIBRARY; MOLECULAR SIZE; PRINCIPAL COMPONENT ANALYSIS; STOCHASTIC MODEL;

ALGORITHMS; DRUG DESIGN; SMALL MOLECULE LIBRARIES; STOCHASTIC PROCESSES;

EID: 84877823346     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja401184g     Document Type: Article

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