Application of smiles notation based optimal descriptors in drug discovery and design

Current Topics in Medicinal Chemistry

Volumn 15, Issue 18, 2015, Pages 1768-1779

  Veselinović, Aleksandar M ^a   Veselinović, Jovana B ^a   Živković, Jelena V ^a   Nikolić, Goran M ^a  

^a UNIVERSITY OF NI   (Serbia)

Author keywords

CORAL software; Drug design; Monte Carlo method; Optimal descriptor; QSAR; SMILES

Indexed keywords

1 [(2 HYDROXYETHOXY)METHYL] 6 (PHENYLTHIO)THYMINE; 1, 2, 4 BENZOTRIAZINE DERIVATIVE; 1, 4 DIHYDROPYRIDINE DERIVATIVE; BENZODIAZEPINE DERIVATIVE; BROMINE; CHLORINE; COUMARIN DERIVATIVE; FLUORINE; FULLERENE DERIVATIVE; NITROGEN; NONNUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR; OXADIAZOLE DERIVATIVE; OXYGEN; PENICILLIN DERIVATIVE; PYRAZOLO [1, 5 A] PYRIMIDINE DERIVATIVE; SULFUR; UNCLASSIFIED DRUG;

ALGORITHM; ARTICLE; CHEMICAL BOND; CHEMICAL PROCEDURES; CHEMICAL STRUCTURE; COMPARATIVE MOLECULAR FIELD ANALYSIS; CORRELATION COEFFICIENT; DRUG DESIGN; GENETIC ALGORITHM; GEOMETRY; MONTE CARLO METHOD; MULTIPLE LINEAR REGRESSION ANALYSIS; PROCESS OPTIMIZATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SIMPLIFIED MOLECULAR INPUT LINE ENTRY SYSTEM; VALIDATION PROCESS; DRUG DEVELOPMENT;

DRUG DESIGN; DRUG DISCOVERY; MODELS, MOLECULAR; MOLECULAR STRUCTURE; MONTE CARLO METHOD; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84934757327     PISSN: 15680266     EISSN: 18734294     Source Type: Journal    
DOI: 10.2174/1568026615666150506151533     Document Type: Article

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