Scaffold diversity analysis of compound data sets using an entropy-based measure

QSAR and Combinatorial Science

Volumn 28, Issue 11-12, 2009, Pages 1551-1560

  Medina Franco, Jose L ^a   Martínez Mayorga, Karina ^a   Bender, Andreas ^b   Scior, Thomas ^c  

^a TORREY PINES INSTITUTE FOR MOLECULAR STUDIES   (United States)

^b LEIDEN UNIVERSITY   (Netherlands)

^c BENEMÉRITA UNIVERSIDAD AUTÓNOMA DE PUEBLA   (Mexico)

Author keywords

Cheminformatics; Diversity oriented synthesis; Drug design; Medicinal chemistry; Molecular diversity; Scaffold retrieval curves; Shannon entropy

Indexed keywords

PROTEIN;

ARTICLE; CHEMICAL ANALYSIS; CHEMICAL STRESS; DATA ANALYSIS; DRUG DESIGN; DRUG SCREENING; ENTROPY; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; PRIORITY JOURNAL; SCAFFOLD DIVERSITY ANALYSIS; STRUCTURE ACTIVITY RELATION;

EID: 76049086854     PISSN: 1611020X     EISSN: 16110218     Source Type: Journal    
DOI: 10.1002/qsar.200960069     Document Type: Article

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