Chemical-Space-Based de Novo Design Method to Generate Drug-Like Molecules

Journal of Chemical Information and Modeling

Volumn 56, Issue 10, 2016, Pages 1885-1893

  Takeda, Shunichi ^a   Kaneko, Hiromasa ^a   Funatsu, Kimito ^a  

^a UNIVERSITY OF TOKYO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMISTRY;

A-PLANE; ACTIVITY DISTRIBUTION; CASE-STUDIES; CHEMICAL SPACE; DE NOVO DESIGN; DRUG COMPOUNDS; HUMAN HISTAMINE H1 RECEPTORS; TWO DIMENSIONAL PLANE;

CHEMICAL ENGINEERING;

ALPHA 2 ADRENERGIC RECEPTOR; HISTAMINE H1 RECEPTOR; LIGAND; MOLECULAR LIBRARY;

ALGORITHM; CHEMISTRY; DRUG DESIGN; HUMAN; METABOLISM; MOLECULAR DOCKING; MOLECULAR LIBRARY; PHARMACOLOGY;

ALGORITHMS; DRUG DESIGN; HUMANS; LIGANDS; MOLECULAR DOCKING SIMULATION; RECEPTORS, ADRENERGIC, ALPHA-2; RECEPTORS, HISTAMINE H1; SMALL MOLECULE LIBRARIES;

EID: 84992743776     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/acs.jcim.6b00038     Document Type: Article

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