Prediction of pKa for neutral and basic drugs based on radial basis function neural networks and the heuristic method

Pharmaceutical Research

Volumn 22, Issue 9, 2005, Pages 1454-1460

  Luan, Feng ^a   Ma, Weiping ^a   Zhang, Haixia ^a   Zhang, Xiaoyun ^a   Liu, Mancang ^a   Hu, Zhide ^a   Fan, Botao ^b  

^a LANZHOU UNIVERSITY   (China)

^b UNIVERSITÉ PARIS DESCARTES   (France)

Author keywords

Neutral and basic drugs; Quantitative structure property relationship; Radial basis function neural networks; The heuristic method

Indexed keywords

BUTORPHANOL; CLOZAPINE; COCAINE; CODEINE; DILTIAZEM; DOMPERIDONE; ERGOTAMINE; FENTANYL; GALANTAMINE; LIDOCAINE; MEXILETINE; MIRTAZAPINE; NALOXONE; NEBIVOLOL; NEFAZODONE; NICOTINE; NIZATIDINE; OXYCODONE; PERPHENAZINE; PETHIDINE; PROMETHAZINE; QUINIDINE; RANITIDINE; REMOXIPRIDE; RIVASTIGMINE; TIMOLOL; TOLAMOLOL; TRAZODONE; UNINDEXED DRUG; VERAPAMIL;

ARTICLE; ARTIFICIAL NEURAL NETWORK; CALCULATION; COMPUTER PROGRAM; CORRELATION COEFFICIENT; ELECTRICITY; ERROR; GEOMETRY; LINEAR SYSTEM; NONLINEAR SYSTEM; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE PROPERTY RELATION; QUANTUM CHEMISTRY;

NEURAL NETWORKS (COMPUTER); PHARMACEUTICAL PREPARATIONS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 24044549995     PISSN: 07248741     EISSN: 1573904X     Source Type: Journal    
DOI: 10.1007/s11095-005-6246-8     Document Type: Article

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