"COSMO-RS blind prediction of distribution coefficients and aqueous pKa ..."

Michael Diedenhofen, Frank Eckert, Selman Terzi (2023)

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DOI: 10.1007/S10822-023-00514-4

access: closed

type: Journal Article

metadata version: 2023-07-21

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Michael Diedenhofen, Frank Eckert, Selman Terzi:
COSMO-RS blind prediction of distribution coefficients and aqueous pKa values from the SAMPL8 challenge. J. Comput. Aided Mol. Des. 37(8): 395-405 (2023)

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