Predictive QSPR study of the dissociation constants of diverse pharmaceutical compounds

Chemical Biology and Drug Design

Volumn 76, Issue 5, 2010, Pages 433-440

  Mercader, Andrew G ^a,b   Goodarzi, Mohammad ^c   Duchowicz, Pablo R ^a   Fernández, Francisco M ^a   Castro, Eduardo A ^a  

^a INSTITUTO DE INVESTIGACIONES FISICOQUÍMICAS TEÓRICAS Y APLICADAS INIFTA   (Argentina)

^b UNIVERSIDAD DE BUENOS AIRES   (Argentina)

^c ISLAMIC AZAD UNIVERSITY   (Iran)

Author keywords

Enhanced replacement method; Pharmaceutical compounds; pKa; QSPR

Indexed keywords

4 AMINOPHENOL; BUFURALOL; BUPIVACAINE; BUSPIRONE; CARBOXYLIC ACID; CODEINE; DESIPRAMINE; DILTIAZEM; INDAPAMIDE; KETAMINE; LIDOCAINE; MORPHINE; NORVERAPAMIL; OXPRENOLOL; PARACETAMOL; PHENOBARBITAL; PHENYLPROPANOLAMINE; PRILOCAINE; PROCAINAMIDE; PROMAZINE; PROTRIPTYLINE; QUININE; RIFAMPICIN; SALBUTAMOL; SALICYLIC ACID; SUMATRIPTAN; TRIMIPRAMINE; TULOBUTEROL; UNINDEXED DRUG; VERAPAMIL;

ALGORITHM; ARTICLE; ATOM; CHEMICAL STRUCTURE; DISSOCIATION CONSTANT; GENETIC ALGORITHM; HYDROGEN BOND; MOLECULE; POTENTIOMETRY; PRIORITY JOURNAL; QUANTITATIVE ANALYSIS; QUANTUM CHEMISTRY; SPECTROPHOTOMETER; STRUCTURE ACTIVITY RELATION;

ALBUTEROL; ALGORITHMS; HYDROGEN BONDING; KINETICS; LIDOCAINE; MODELS, MOLECULAR; PHARMACEUTICAL PREPARATIONS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SALICYLIC ACID;

EID: 78651101425     PISSN: 17470277     EISSN: 17470285     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2010.01033.x     Document Type: Article

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