Development of a method to consistently quantify the structural distance between scaffolds and to assess scaffold hopping potential

Journal of Chemical Information and Modeling

Volumn 51, Issue 10, 2011, Pages 2507-2514

  Li, Ruifang ^a   Stumpfe, Dagmar ^a   Vogt, Martin ^a   Geppert, Hanna ^a   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ANALYSIS; DIGITAL LIBRARIES; TOPOLOGY;

BIOLOGICAL SEQUENCES; MEDICINAL CHEMISTRY; MOLECULAR SCAFFOLDS; ONE-DIMENSIONAL ATOM; REFERENCE COMPOUNDS; SEQUENCE ALIGNMENTS; STRUCTURAL RELATIONSHIP; TOPOLOGICAL EQUIVALENCE;

SCAFFOLDS;

ARTICLE; COMPUTER INTERFACE; DRUG SCREENING; INFORMATION SCIENCE; METHODOLOGY;

DRUG EVALUATION, PRECLINICAL; INFORMATICS; USER-COMPUTER INTERFACE;

EID: 80054899347     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci2003945     Document Type: Article

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