pKa prediction for small molecules: an overview of experimental, quantum, and machine learning-based approaches.
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| Title: | pKa prediction for small molecules: an overview of experimental, quantum, and machine learning-based approaches. |
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| Authors: | Baikété J; Department of Physics, Faculty of Science, University of Maroua, PO BOX 46, Maroua, Cameroon., Malloum A; Department of Physics, Faculty of Science, University of Maroua, PO BOX 46, Maroua, Cameroon. MalloumA@ufs.ac.za.; Department of Chemistry, University of the Free State, PO BOX 339, Bloemfontein, 9300, South Africa. MalloumA@ufs.ac.za., Conradie J; Department of Chemistry, University of the Free State, PO BOX 339, Bloemfontein, 9300, South Africa. |
| Source: | Journal of computer-aided molecular design [J Comput Aided Mol Des] 2025 Nov 25; Vol. 40 (1), pp. 5. Date of Electronic Publication: 2025 Nov 25. |
| Publication Type: | Journal Article; Review |
| Journal Info: | Publisher: Springer Country of Publication: Netherlands NLM ID: 8710425 Publication Model: Electronic Cited Medium: Internet ISSN: 1573-4951 (Electronic) Linking ISSN: 0920654X NLM ISO Abbreviation: J Comput Aided Mol Des Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
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