Mapping algorithms for molecular similarity analysis and ligand-based virtual screening: Design of DynaMAD and comparison with MAD and DMC

Journal of Chemical Information and Modeling

Volumn 46, Issue 4, 2006, Pages 1623-1634

  Eckert, Hanna ^a   Vogt, Ingo ^a   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; COMPUTER SIMULATION; CONFORMAL MAPPING; DATA REDUCTION; DATABASE SYSTEMS; MATHEMATICAL MODELS; VIRTUAL REALITY;

ACTIVITY-CLASS-DEPENDENT DESCRIPTOR; DATABASE COMPOUNDS; LIGAND-BASED VIRTUAL SCREENING; MOLECULAR SIMILARITY ANALYSIS;

MOLECULAR GRAPHICS;

LIGAND;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; COMBINATORIAL CHEMISTRY; COMPARATIVE STUDY; STRUCTURE ACTIVITY RELATION;

ALGORITHMS; COMBINATORIAL CHEMISTRY TECHNIQUES; LIGANDS; MOLECULAR STRUCTURE; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 33746883889     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci060083o     Document Type: Article

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