Designing sedative/hypnotic compounds from a novel substructural graph-theoretical approach

Journal of Computer-Aided Molecular Design

Volumn 12, Issue 6, 1998, Pages 583-595

  Estrada, Ernesto ^a,b,c   Peña, Alfredo ^a   García Domenech, Ramón ^b  

^a CENTRAL UNIVERSITY OF LAS VILLAS   (Cuba)

^b UNIVERSITY OF VALENCIA   (Spain)

^c Centro de Bioactivos   (Cuba)

Author keywords

Active fragments; Bond matrix; Discriminant analysis; Drug design; Graph theory; Spectral moments

Indexed keywords

GRAPH THEORY; STRUCTURAL DESIGN;

ACTIVE FRAGMENT; ADJACENCY MATRIX; BOND MATRIX; COMPUTER AIDED MOLECULAR DESIGN; DRUG DESIGN; GRAPH THEORETICAL APPROACH; LINEAR COMBINATIONS; MATRIX; SPECTRAL MOMENTS; SUB-STRUCTURES;

DISCRIMINANT ANALYSIS;

HYPNOTIC SEDATIVE AGENT;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; DRUG DESIGN; STRUCTURE ACTIVITY RELATION; SYNTHESIS;

DRUG DESIGN; HYPNOTICS AND SEDATIVES; MODELS, CHEMICAL; MOLECULAR STRUCTURE; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 0032200893     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1008048003720     Document Type: Article

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