Comparison of Scaling Methods to Obtain Calibrated Probabilities of Activity for Protein-Ligand Predictions

Lewis H. Mervin, Avid M. Afzal, Ola Engkvist, Andreas Bender. Comparison of Scaling Methods to Obtain Calibrated Probabilities of Activity for Protein-Ligand Predictions. Journal of Chemical Information and Computer Sciences, 60(10):4546-4559, 2020. [doi]

Authors

Lewis H. Mervin

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Avid M. Afzal

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Ola Engkvist

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Andreas Bender

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