Machine learning prediction of pKa of organic acids
The logarithmic acid dissociation constant pKa reflects the ionization of a chemical, which affects lipophilicity, solubility, protein binding, and ability to cross the plasma membrane. It affects the chemical properties of absorption, distribution, metabolism, excretion, and toxicity. Thus, accurat...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2025-12-01
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| Series: | Artificial Intelligence Chemistry |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2949747725000090 |
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