Searching for coordinated activity cliffs using particle swarm optimization

Journal of Chemical Information and Modeling

Volumn 52, Issue 4, 2012, Pages 927-934

  Namasivayam, Vigneshwaran ^a   Bajorath, Jurgen ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

PARTICLE SWARM OPTIMIZATION (PSO);

COORDINATED ACTIVITY; DATA SET; INFORMATION CONTENTS; LOCAL NETWORKS; MACHINE LEARNING APPROACHES;

LANDFORMS;

DIPEPTIDYL PEPTIDASE IV; DIPEPTIDYL PEPTIDASE IV INHIBITOR; DPP4 PROTEIN, HUMAN; MOLECULAR LIBRARY;

ALGORITHM; ARTICLE; ARTIFICIAL INTELLIGENCE; CHEMICAL DATABASE; CHEMISTRY; CLUSTER ANALYSIS; DRUG DEVELOPMENT; HUMAN; METHODOLOGY; MOLECULAR LIBRARY; STRUCTURE ACTIVITY RELATION;

ALGORITHMS; ARTIFICIAL INTELLIGENCE; CLUSTER ANALYSIS; DATABASES, CHEMICAL; DIPEPTIDYL PEPTIDASE 4; DIPEPTIDYL-PEPTIDASE IV INHIBITORS; DRUG DISCOVERY; HUMANS; RESEARCH DESIGN; SMALL MOLECULE LIBRARIES; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84862021088     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci3000503     Document Type: Article

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