Advances in computational medicinal chemistry: Matched molecular pair analysis

Drug Development Research

Volumn 73, Issue 8, 2012, Pages 518-527

  Wassermann, Anne Mai ^a   Dimova, Dilyana ^a   Iyer, Preeti ^a   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

compound design; computational methods; data mining; matched molecular pairs; matching molecular series; molecular transformations; property prediction; structure activity property relationships

Indexed keywords

ALGORITHM; AQUEOUS SOLUTION; CALCULATION; CHEMICAL MODIFICATION; CONCEPTUAL FRAMEWORK; DRUG ACTIVITY; DRUG SOLUBILITY; FRAGMENTATION REACTION; HYDROGEN BOND; LIPOPHILICITY; MACHINE LEARNING; MATCHED MOLECULAR PAIR ANALYSIS; MELTING POINT; MOLECULAR BIOLOGY; PROSPECTIVE STUDY; PROTEIN BINDING; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REFERENCE DATABASE; REVIEW; SAMPLE SIZE; STRUCTURE ACTIVITY RELATION;

EID: 84870945499     PISSN: 02724391     EISSN: 10982299     Source Type: Journal    
DOI: 10.1002/ddr.21045     Document Type: Review

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