AI RESEARCH
Quantum Circuit Simulation of Compartmental Drug Dynamics: Leveraging Variational Algorithms for Nonlinear Mixed-Effects Population Pharmacokinetics
arXiv CS.LG
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ArXi:2605.09691v1 Announce Type: new Population pharmacokinetic/pharmacodynamic (PK/PD) modeling traditionally relies on classical ordinary differential equations to simulate drug dynamics. In this work, we reformulate a compartmental PK/PD model as an open quantum system and implement it using quantum circuits developed in PennyLane. Four pharmacological compartments (central, peripheral, effect-site, and response) are encoded using twelve qubits, with inter-compartmental transitions represented through controlled quantum operations that emulate stochastic dynamics.