"The SAMPL6 challenge on predicting octanol-water partition coefficients ..."

Nicolas Tielker et al. (2020)

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DOI: 10.1007/S10822-020-00283-4

access: open

type: Journal Article

metadata version: 2021-05-14

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Nicolas Tielker, Daniel Tomazic, Lukas Eberlein, Stefan Güssregen, Stefan M. Kast:
The SAMPL6 challenge on predicting octanol-water partition coefficients from EC-RISM theory. J. Comput. Aided Mol. Des. 34(4): 453-461 (2020)

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