Predicting hERG activities of compounds from their 3D structures: Development and evaluation of a global descriptors based QSAR model

European Journal of Medicinal Chemistry

Volumn 46, Issue 2, 2011, Pages 618-630

  Sinha, Nandita ^a   Sen, Srikanta ^a  

^a Molecular Modeling Section   (India)

Author keywords

Classification; Domain of applicability; Enrichment factor; Neural network; Statistical analysis

Indexed keywords

POTASSIUM CHANNEL BLOCKING AGENT; POTASSIUM CHANNEL HERG;

ARTICLE; DRUG STRUCTURE; ENZYME ACTIVITY; NERVE CELL NETWORK; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RANDOMIZATION; RELIABILITY; VALIDATION PROCESS;

COMPUTER SIMULATION; ETHER-A-GO-GO POTASSIUM CHANNELS; HUMANS; MOLECULAR STRUCTURE; ORGANIC CHEMICALS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 79151471075     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2010.11.042     Document Type: Article

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