QSAR analysis of phenolic antioxidants using MOLMAP descriptors of local properties

Bioorganic and Medicinal Chemistry

Volumn 14, Issue 4, 2006, Pages 1199-1206

  Gupta, Sunil ^a   Matthew, Susan ^a   Abreu, Pedro M ^a   Aires De Sousa, João ^a  

^a DEPARTAMENTO DE QUÍMICA   (Portugal)

Author keywords

Antioxidant activity; Chemical reactivity; Local descriptors; Neural networks

Indexed keywords

2 HYDROXY 6 METHOXYBENZOIC ACID; ANTIOXIDANT; CAFFEIC ACID; CAFTARIC ACID; CARINOL; CHLOROGENIC ACID; CICHORIC ACID; CURCUMIN; CYANARIN; CYCLOOLIVIL; DEMETHOXYCURCUMIN; DIDEMETHOXYCURCUMIN; DIHYDROFERULIC ACID; DIHYDROSINAPIC ACID; ECHINACOSIDE; FERULIC ACID; GALLIC ACID; NEPETOIDIN B; NOVOZYM 435; OLIVIL; PARA COUMARIC ACID; PICEATANNOL; RESVERATROL; ROSMARINIC ACID; ROSMARINIC METHYL ESTER; SARGACHROMENOL; SARGACHROMENOL METHYL ESTER; SCIRPUSIN A; SINAPIC ACID; UNCLASSIFIED DRUG; UNINDEXED DRUG; VANILLIC ACID;

ANTIOXIDANT ACTIVITY; ARTICLE; ARTIFICIAL NEURAL NETWORK; CHEMICAL BOND; CHEMICAL REACTION; DRUG MECHANISM; DRUG POTENCY; GENETIC ALGORITHM; INFORMATION PROCESSING; MOLECULAR DYNAMICS; MOLECULAR MAPS OF ATOM LEVEL PROPERTIES; MOLECULAR MODEL; PHYSICAL CHEMISTRY; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STRUCTURE ACTIVITY RELATION;

ALGORITHMS; ANTIOXIDANTS; INHIBITORY CONCENTRATION 50; MOLECULAR STRUCTURE; NEURONS; PHENOLS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 30344489020     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2005.09.047     Document Type: Article

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