Herbal compounds present complex toxicity profiles that are often influenced by both intrinsic chemical properties and pharmacokinetics (PK) governing absorption and clearance. In this study, we develop a quantum regression model to predict acute toxicity severity for herbal-derived compounds by integrating toxicity data from NICEATM with pharmacological features from TCMSP.
@article{arxiv.2506.20157,
title = {Integrating Pharmacokinetics and Pharmacodynamics Modeling with Quantum Regression for Predicting Herbal Compound Toxicity},
author = {Don Roosan and Saif Nirzhor and Rubayat Khan},
journal= {arXiv preprint arXiv:2506.20157},
year = {2025}
}
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Conference can be found here: https://www.american-cse.org/csce2025/program