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High-throughput in-silico prediction of ionization equilibria for pharmacokinetic modeling
Chemical ionization plays an important role in many aspects of pharmacokinetic (PK) processes such as protein binding, tissue partitioning, and apparent volume of distribution at steady state (Vd(ss)). Here, estimates of ionization equilibrium constants (i.e., pK(a)) were analyzed for 8,132 pharmace...
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| Veröffentlicht in: | Sci Total Environ |
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| Hauptverfasser: | , , , , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
2017
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6055917/ https://ncbi.nlm.nih.gov/pubmed/28964990 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.scitotenv.2017.09.033 |
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