Pharmacometrics Modeling via Physics-Informed Neural Networks: Integrating Time-Variant Absorption Rates and Fractional Calculus for Enhancing Prediction Accuracy

Abstract: We present a novel method to improve pharmacokinetics modeling, an essential step of drug development. Conventional models frequently fail to fully represent the intricacies of drug absorption and distribution, which limits their predictive abilities required for personalized treatment strategies. Our methodology introduces two innovations to enhance modeling accuracy: 1. Time-varying parameters: this approach is designed to accommodate the dynamic nature of drug absorption rates. 2. Fractional calculus in representing delayed drug response. This approach effectively captures anomalous diffusion phenomena, surpassing traditional models in describing drug delayed response without the need for extensive compartmentalization.