LightGBM: An Effective and Scalable Algorithm for Prediction of Chemical Toxicity-Application to the Tox21 and Mutagenicity Data Sets

Jin Zhang, Daniel Mucs, Ulf Norinder, Fredrik Svensson. LightGBM: An Effective and Scalable Algorithm for Prediction of Chemical Toxicity-Application to the Tox21 and Mutagenicity Data Sets. Journal of Chemical Information and Computer Sciences, 59(10):4150-4158, 2019. [doi]

Authors

Jin Zhang

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Daniel Mucs

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Ulf Norinder

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Fredrik Svensson

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