Prediction of acid pKa values in the solvent acetone based on COSMO‐RS
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DOI: 10.1002/jcc.26864
Abstract: In this contribution we extent the use of the conductor‐like screening model for realistic solvation (COSMO‐RS) to the prediction of pKa values in acetone, a commonly used dipolar aprotic solvent. For this, we calculated the… read more here.
Keywords: prediction acid; cosmo prediction; pka; pka values ... See more keywords
Model-Based Prediction of Acid Suppression and Proposal of a New Dosing Regimen of Fexuprazan in Humans
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DOI: 10.3390/ph15060709
Abstract: Fexuprazan is a potassium-competitive acid blocker (P-CAB). The compounds in this newly developed drug family suppress intragastric acidity. As there are already other acid-suppressing drugs on the market, such as H2 antagonists and proton pump… read more here.
Keywords: based prediction; prediction acid; model; drug ... See more keywords