Integrating Pharmacokinetics and Pharmacodynamics Modeling with Quantum Regression for Predicting Herbal Compound Toxicity

Abstract

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.