Extending 'predict first' to the design-make-Test cycle in small-molecule drug discovery

Future Medicinal Chemistry

Volumn 9, Issue 6, 2017, Pages 533-536

  Harrison, Scott ^a   Lahue, Brian ^a   Peng, Zhengwei ^a   Donofrio, Anthony ^a   Chang, Charlie ^a   Glick, Meir ^a  

^a MERCK RESEARCH LABORATORIES   (United States)

Author keywords

combinatorial and high throughput synthesis; computational chemistry and molecular modeling; pharma Industry

Indexed keywords

CHEMICAL STRUCTURE; DATA MINING; DECISION MAKING; DRUG DEVELOPMENT; HIGH THROUGHPUT SCREENING; HUMAN; LEARNING; LIPOPHILICITY; MOLECULAR MODEL; PHARMACOKINETICS; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REVIEW; SOFTWARE; DRUG DESIGN; ISOLATION AND PURIFICATION; MOLECULAR LIBRARY; PROCEDURES; SYNTHESIS;

ORGANIC COMPOUND;

DATA MINING; DRUG DESIGN; DRUG DISCOVERY; HUMANS; ORGANIC CHEMICALS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SMALL MOLECULE LIBRARIES;

EID: 85018184050     PISSN: 17568919     EISSN: 17568927     Source Type: Journal    
DOI: 10.4155/fmc-2017-0025     Document Type: Review

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