A k-nearest neighbor classification of hERG K+ channel blockers

Journal of Computer-Aided Molecular Design

Volumn 30, Issue 3, 2016, Pages 229-236

  Chavan, Swapnil ^a   Abdelaziz, Ahmed ^b   Wiklander, Jesper G ^a   Nicholls, Ian A ^a,c  

^a LINNAEUS UNIVERSITY   (Sweden)

^b EADMET GmbH   (Germany)

^c UPPSALA UNIVERSITY   (Sweden)

Author keywords

Classification model; hERG blockers; Ikr; k nearest neighbor (k NN); KCNH2; Toxicity

Indexed keywords

NEAREST NEIGHBOR SEARCH;

CLASSIFICATION MODELS; CONSENSUS MODELS; HERG BLOCKER; IKR; K+ CHANNELS; K-NEAR NEIGHBOR; K-NEAREST NEIGHBOR CLASSIFICATION; K-NEAREST NEIGHBOUR MODELS; MODEL DEVELOPMENT; PUBCHEM;

MOTION COMPENSATION;

POTASSIUM CHANNEL BLOCKING AGENT; POTASSIUM CHANNEL HERG; MOLECULAR LIBRARY;

ACCURACY; ARTICLE; CONSENSUS; CONTROLLED STUDY; DRUG CLASSIFICATION; K NEAREST NEIGHBOR; PRIORITY JOURNAL; QT PROLONGATION; SENSITIVITY AND SPECIFICITY; ANTAGONISTS AND INHIBITORS; BIOLOGICAL MODEL; CHEMISTRY; DRUG DATABASE; DRUG DEVELOPMENT; HUMAN; METABOLISM; MOLECULAR LIBRARY; PHARMACOLOGY; PROCEDURES; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SOFTWARE;

DATABASES, PHARMACEUTICAL; DRUG DISCOVERY; ETHER-A-GO-GO POTASSIUM CHANNELS; HUMANS; MODELS, BIOLOGICAL; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SMALL MOLECULE LIBRARIES; SOFTWARE;

EID: 84957695003     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-016-9898-z     Document Type: Article

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