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April 26, 2026RSC Advances2 citationsOpen Access

Digitized dataset of aqueous acid dissociation constants

JZJonathan W. ZhengOLOlivier Lafontant-JosephWGW H Green

Key Points

  • The aim is to provide a comprehensive and digitized dataset of acid dissociation constants for research and modeling.
  • Digitized and compiled over 24,000 entries of pKa measurements.
  • Developed a machine learning model for predicting acid dissociation constants.
  • The dataset is publicly accessible for scientific use.
  • The machine learning model predicts pKa values effectively based on the digitized data.

Abstract

A dataset containing 24 000+ entries of acid dissociation constant (p K a ) measurements was digitized and made publicly available, alongside a machine learning model for predicting macroscopic p K a values.

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Cite This Study

Zheng et al. (2026) studied this question.

synapsesocial.com/papers/69edabdf4a46254e215b3c58https://doi.org/10.1039/d6ra02418a
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