In silico prediction of hERG potassium channel blockage by chemical category approaches
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A series of models of hERG blockage were built using five machine learning methods based on 13 molecular descriptors, five types of fingerprints and molecular descriptors combining fingerprints at four blockage thresholds.
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2011 ◽
Vol 82
(11)
◽
pp. 1636-1643
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2017 ◽
Vol 30
(5)
◽
pp. 1209-1218
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