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Quantum Mechanical Prediction of Dissociation Constants for Thiazol-2-imine Derivatives
[Image: see text] As weak acids or bases, in solution, drug molecules are in either their ionized or nonionized states. A high degree of ionization is essential for good water solubility of a drug molecule and is required for drug–receptor interactions, whereas the nonionized form improves a drug’s...
Autores principales: | Arslan, Evrim, Haslak, Zeynep Pinar, Monard, Gérald, Dogan, Ilknur, Aviyente, Viktorya |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2023
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10207282/ https://www.ncbi.nlm.nih.gov/pubmed/37126823 http://dx.doi.org/10.1021/acs.jcim.2c01468 |
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