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The SAMPL6 challenge on predicting octanol-water partition coefficients from EC-RISM theory

Nicolas Tielker, Daniel Tomazic, Lukas Eberlein, Stefan Güssregen, Stefan M. Kast. The SAMPL6 challenge on predicting octanol-water partition coefficients from EC-RISM theory. Journal of Computer-Aided Molecular Design, 34(4):453-461, 2020. [doi]

Authors

Nicolas Tielker

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Daniel Tomazic

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Lukas Eberlein

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Stefan Güssregen

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Stefan M. Kast

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