Integrating Pharmacokinetics and Pharmacodynamics Modeling with Quantum Regression for Predicting Herbal Compound Toxicity
Don Roosan, Saif Nirzhor, Rubayat Khan
2025-06-25regression
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.
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