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Pharmacology Research & Perspectives
Article . 2026 . Peer-reviewed
License: CC BY
Data sources: Crossref
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https://dx.doi.org/10.48620/97...
Other literature type . 2026
Data sources: Datacite
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Improving Population Pharmacokinetic Modelling with Artificial Patients using Generative Artificial Intelligence

Authors: Verena Schöning; Felix Hammann;

Improving Population Pharmacokinetic Modelling with Artificial Patients using Generative Artificial Intelligence

Abstract

ABSTRACT In population pharmacokinetics (PopPK), non‐linear mixed effects (NLME) models are used to simultaneously describe a drug's pharmacokinetics (PK) and dynamics (PD) in a patient population using systems of ordinary differential equations. In this field, machine learning is mainly used for data preparation, hypothesis generation, predictive modeling, and model validation. Some approaches to integrate artificially generated information have already been explored, but real‐world application is still limited. We therefore conducted a proof‐of‐concept study to analyze the ability of generative artificial intelligence (AI) to create artificial patient profiles to augment PopPK data sets and assess their influence on parameter estimates. We defined the pharmacokinetic parameters of a hypothetical drug and simulated the concentration curves of 20 patients. We then trained Wasserstein Generative Adversarial Networks (WGANs) with gradient penalty (GP) to generate artificial patients. The data distribution of original and artificial patients was statistically indistinguishable as shown by the Maximum Mean Discrepancy test. Therefore, the WGAN‐GP is neither overfitted, that is producing only single instances of artificial patients, nor underfitted, that is producing unrealistic artificial patients. We then combined different shares of original and artificial patients in separate data sets to build and compare PopPK model estimates. Addition of artificial patients led to narrower confidence intervals, indicating more robust parameter estimates, and accentuated the allometric effect of weight on the volume of distribution. In conclusion, we provide a proof‐of‐concept that generative AI can be used to augment pharmacokinetic data sets, with preliminary evidence suggesting improved parameter estimation.

Related Organizations
Keywords

data set augmentation, population pharmacokinetics, ordinary differential equations, Wasserstein generative adversary networks

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
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