euroSAMPL1 challenge data and analysis
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https://b2find.eudat.eu/dataset/c05b8f4b-3b7b-5b50-aa5c-24e79faa7d47
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The euroSAMPL1 challenge was devoted to the prediction of aqueous pKa values of small drug-like molecules provided as SMILES strings and, as a novel challenge component,...
