Tuning hERG out: Antitarget QSAR models for drug development

Current Topics in Medicinal Chemistry

Volumn 14, Issue 11, 2014, Pages 1399-1415

  Braga, Rodolpho C ^a   Alves, Vinícius M ^a   Silva, Meryck F B ^a   Muratov, Eugene ^b   Fourches, Denis ^b   Tropsha, Alexander ^b   Andrade, Carolina H ^a  

^a FEDERAL UNIVERSITY OF GOIÁS   (Brazil)

^b University of North Carolina   (United States)

Author keywords

Antitarget; Drug development; hERG; QSAR modeling; Virtual screening

Indexed keywords

POTASSIUM CHANNEL HERG; DRUG;

ARTICLE; BIOLOGICAL ACTIVITY; CONSENSUS DEVELOPMENT; DRUG DESIGN; FINGER DERMATOGLYPHICS; HIGH THROUGHPUT SCREENING; IC 50; KERNEL METHOD; MEASUREMENT ACCURACY; MEASUREMENT PRECISION; PHARMACOPHORE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RANDOM FOREST; RANDOMIZATION; RECEIVER OPERATING CHARACTERISTIC; SENSITIVITY AND SPECIFICITY; SUPPORT VECTOR MACHINE; ANTAGONISTS AND INHIBITORS; CHEMICAL STRUCTURE; CHEMISTRY; DATA BASE; DRUG DEVELOPMENT; HUMAN;

DATABASES AS TOPIC; DRUG DISCOVERY; ETHER-A-GO-GO POTASSIUM CHANNELS; HUMANS; MODELS, MOLECULAR; PHARMACEUTICAL PREPARATIONS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84903746685     PISSN: 15680266     EISSN: 18734294     Source Type: Journal    
DOI: 10.2174/1568026614666140506124442     Document Type: Article

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