Discovery of novel histamine H4 and serotonin transporter ligands using the topological feature tree descriptor

Journal of Chemical Information and Modeling

Volumn 52, Issue 1, 2012, Pages 233-242

  Kiss, Róbert ^a   Sándor, Márk ^a   Gere, Anikó ^a   Schmidt, Éva ^a   Balogh, György T ^a   Kiss, Béla ^a   Molnár, László ^a   Lemmen, Christian ^b   Keseru, György M ^a  

^a GEDEON RICHTER LTD   (Hungary)

^b BioSolveIT GmbH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

FORESTRY; SCAFFOLDS; TOPOLOGY; TREES (MATHEMATICS);

IDENTIFICATION PROCESS; LARGE COMPOUND LIBRARIES; PHARMACOPHORE DESCRIPTORS; SCREENING EFFICIENCY; SEROTONIN TRANSPORTERS; STRUCTURAL INFORMATION; TOPOLOGICAL FEATURES; TOPOLOGICAL REPRESENTATION;

LIGANDS;

ALGORITHMS; DRUGS; LEAD COMPOUNDS; LIGANDS; SCAFFOLDS; SCREENING;

G PROTEIN COUPLED RECEPTOR; HISTAMINE RECEPTOR; HISTAMINERGIC RECEPTOR AFFECTING AGENT; HRH4 PROTEIN, HUMAN; SEROTONIN TRANSPORTER; SEROTONIN UPTAKE INHIBITOR;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER AIDED DESIGN; COMPUTER PROGRAM; DRUG ANTAGONISM; DRUG DEVELOPMENT; HUMAN; MOLECULAR LIBRARY;

ALGORITHMS; COMPUTER-AIDED DESIGN; DRUG DISCOVERY; HISTAMINE AGENTS; HUMANS; MOLECULAR STRUCTURE; RECEPTORS, G-PROTEIN-COUPLED; RECEPTORS, HISTAMINE; SEROTONIN PLASMA MEMBRANE TRANSPORT PROTEINS; SEROTONIN UPTAKE INHIBITORS; SMALL MOLECULE LIBRARIES; SOFTWARE;

EID: 84858050636     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci2004972     Document Type: Article

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