Prediction of hERG potassium channel blockade using kNN-QSAR and Local Lazy Regression methods

QSAR and Combinatorial Science

Volumn 27, Issue 11-12, 2008, Pages 1305-1317

  Gunturi, Sitarama B ^a   Archana, Kotu ^a   Khandelwal, Akash ^b   Narayanan, Ramamurthi ^a  

^a TATA CONSULTANCY SERVICES   (India)

^b UNIVERSITY OF MARYLAND SCHOOL OF PHARMACY   (United States)

Author keywords

Genetic Algorithms; hERG potassium channel blockade; k Nearest Neighbor; Local Lazy Regression; QSAR

Indexed keywords

COMPUTATIONAL CHEMISTRY; LUNAR SURFACE ANALYSIS; MOTION COMPENSATION; NEAREST NEIGHBOR SEARCH; POTASSIUM; REGRESSION ANALYSIS;

DESCRIPTORS; HERG POTASSIUM CHANNEL BLOCKADE; LOCAL LAZY REGRESSION; MOLECULAR DESCRIPTORS; POTASSIUM CHANNELS; PREDICTIVE MODELS; QSAR; QSPR MODEL; REGRESSION METHOD; VALIDATION TEST;

GENETIC ALGORITHMS;

ALFUZOSIN; ALOSETRON; AMBASILIDE; AMITRIPTYLINE; ASTEMIZOLE; AZIMILIDE; BEPRIDIL; CANRENOIC ACID; CHLORPROMAZINE; CISAPRIDE; CITALOPRAM; CLARITHROMYCIN; CLOZAPINE N OXIDE; DEBUTYLHALOFANTRINE; DESIPRAMINE; DESLORATADINE; DILTIAZEM; DISOPYRAMIDE; DOFETILIDE; DOLASETRON MESILATE; DOMPERIDONE; DOXAZOSIN; FEXOFENADINE; IRBESARTAN; NORASTEMIZOLE; OLANZAPINE; PALIPERIDONE; POTASSIUM CHANNEL BLOCKING AGENT; POTASSIUM CHANNEL HERG; UNINDEXED DRUG;

ANIMAL CELL; ARTICLE; CELL STRAIN HEK293; CHANNEL GATING; CHO CELL; CONTROLLED STUDY; DRUG SCREENING; FEMALE; GENETIC ALGORITHM; HUMAN; HUMAN CELL; INFORMATION PROCESSING; INTERMETHOD COMPARISON; K NEAREST NEIGHBOR; MATHEMATICAL ANALYSIS; METHODOLOGY; NONHUMAN; PHYSICAL CHEMISTRY; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTITATIVE STRUCTURE PROPERTY RELATION; REGRESSION ANALYSIS; SCIENTIFIC LITERATURE; VALIDATION STUDY;

EID: 58149116747     PISSN: 1611020X     EISSN: 16110218     Source Type: Journal    
DOI: 10.1002/qsar.200810072     Document Type: Article

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