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pKa prediction for small molecules: an overview of experimental, quantum, and machine learning-based approaches

Crossref DOI link: https://doi.org/10.1007/s10822-025-00719-9

Published Online: 2025-11-25

Published Print: 2026-12

Update policy: https://doi.org/10.1007/springer_crossmark_policy

Authors

Baikété, Juda https://orcid.org/0009-0008-9774-3156
Malloum, Alhadji https://orcid.org/0000-0002-3013-3029
Conradie, Jeanet https://orcid.org/0000-0002-8120-6830
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Text and Data Mining valid from 2025-11-25

Version of Record valid from 2025-11-25
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Article History

Received: 19 July 2025

Accepted: 14 November 2025

First Online: 25 November 2025

Declarations

:

: The authors declare no competing interests.