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References from Hybrid Mechanistic–Neural Modeling of Concentration-Time Dynamics Generalizes Human Pharmacokinetics Prediction Across Unseen Chemical Space. Local targets link to admitted publications; unresolved targets remain external evidence.
10.1038/s41591-024-03434-4
10.1038/s41591-024-03434-4 · External reference
Why 90% of clinical drug development fails and how to improve it?
10.1016/j.apsb.2022.02.002 · 2022 · External reference
10.1016/j.drudis.2026.104645
10.1016/j.drudis.2026.104645 · External reference
Beyond cl and vss: a comprehensive approach to human pharmacokinetic predictions
10.1016/j.drudis.2024.104238 · 2024 · External reference
Another string to your bow: machine learning prediction of the pharmacokinetic properties of small molecules
10.1080/17460441.2024.2348157 · 2024 · External reference
Application of machine learning and mechanistic modeling to predict intravenous pharmacokinetic profiles in humans
10.1021/acs.jmedchem.5c00340 · 2025 · External reference
10.1038/psp.2013.19
10.1038/psp.2013.19 · External reference
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The evolution and future directions of pbpk modeling in fda regulatory review
10.3390/pharmaceutics17111413 · 2025 · External reference
10.1016/b978-0-12-369521-5.00010-5
10.1016/b978-0-12-369521-5.00010-5 · External reference
Impact of model misspecification on model-based tests in pk studies with parallel design: real case and simulation studies
10.1007/s10928-022-09821-z · 2022 · External reference
10.1093/nar/gkr777
10.1093/nar/gkr777 · External reference
Machine learning and artificial intelligence in physiologically based pharmacokinetic modeling
10.1093/toxsci/kfac101 · 2023 · External reference
Prediction of in vivo pharmacokinetic parameters and time–exposure curves in rats using machine learning from the chemical structure
10.1021/acs.molpharmaceut.2c00027 · 2022 · External reference
10.1021/acs.jcim.9b00300
10.1021/acs.jcim.9b00300 · External reference
Prediction of compound plasma concentration–time profiles in mice using random forest
10.1021/acs.molpharmaceut.3c00071 · 2023 · External reference
Machine learning framework to predict pharmacokinetic profile of small molecule drugs based on chemical structure
10.1111/cts.13824 · 2024 · External reference
Lstm-based prediction of human pk profiles and parameters for intravenous small molecule drugs using adme and physicochemical properties
2025 · External reference
Integrating machine learning with pharmacokinetic models: Benefits of scientific machine learning in adding neural networks components to existing pk models
2024 · External reference
Universal differential equations for scientific machine learning
2020 · External reference
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10.1016/j.isci.2021.102804
10.1016/j.isci.2021.102804 · External reference
Low-dimensional neural odes and their application in pharmacokinetics
10.1007/s10928-023-09886-4 · 2024 · External reference
10.1007/978-3-211-89836-9_64
10.1007/978-3-211-89836-9_64 · External reference
10.1002/jps.2600570123
10.1002/jps.2600570123 · External reference
10.1002/jps.2600570602
10.1002/jps.2600570602 · External reference
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10.1124/dmd.118.082966
10.1124/dmd.118.082966 · External reference
10.1007/s00204-024-03764-9
10.1007/s00204-024-03764-9 · External reference
Actionable predictions of human pharmacokinetics at the drug design stage
10.1021/acs.molpharmaceut.4c00311 · 2024 · External reference
10.1016/s1478-5382(03)02342-4
10.1016/s1478-5382(03)02342-4 · External reference
Deepct: Predicting pharmacokinetic concentration–time curves and compartmental models from chemical structure using deep learning
10.1021/acs.molpharmaceut.4c00562 · 2024 · External reference
10.1021/acs.jcim.3c00799
10.1021/acs.jcim.3c00799 · External reference
Toward generalizable data-driven pharmacokinetics with interpretable neural odes
10.1021/acs.jcim.5c02924 · 2026 · External reference
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