Strategy to discover diverse optimal molecules in the small molecule universe

Journal of Chemical Information and Modeling

Volumn 55, Issue 3, 2015, Pages 529-537

  Rupakheti, Chetan ^a   Virshup, Aaron ^a   Yang, Weitao ^a   Beratan, David N ^a,b  

^a DUKE UNIVERSITY   (United States)

^b DUKE UNIVERSITY SCHOOL OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

LIBRARIES; STOCHASTIC SYSTEMS;

EXHAUSTIVE ENUMERATION; FITNESS LANDSCAPE; MOLECULAR LIBRARIES; ORGANIC MOLECULES; SMALL MOLECULES; STOCHASTIC APPROACH;

MOLECULES;

MOLECULAR LIBRARY;

ALGORITHM; CHEMICAL MODEL; CHEMISTRY; MARKOV CHAIN; MOLECULAR LIBRARY; MOLECULAR WEIGHT;

ALGORITHMS; MODELS, CHEMICAL; MOLECULAR WEIGHT; SMALL MOLECULE LIBRARIES; STOCHASTIC PROCESSES;

EID: 84925441528     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci500749q     Document Type: Article

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