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Towards the comprehensive, rapid, and accurate prediction of the favorable tautomeric states of drug-like molecules in aqueous solution

Jeremy R. Greenwood, David Calkins, Arron P. Sullivan, John C. Shelley

📖 Journal of Computer-Aided Molecular Design → 📅 2010-03-30 🔗 DOI: 10.1007/s10822-010-9349-1
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