pHUBpk: Pharmacokinetics on the pharmaHUB Stephen D. Stamatis 1, Michael J. McLennan 2, and Lee E. Kirsch 1 HUBbub The University of Iowa College of Pharmacy 2 Purdue University

pharmaHUB other NIPTE-FDA Excipients Knowledge Base 22 simulation tools Collaboration for Pharmaceutical Engineering and Science $1.9M NSF CDI award Purdue University Rutgers University University of Iowa 23,000 Users Worldwide

Research Education pharmaHUB Community 3 Tools Supporting Resources Reviews Tags Crystallization Particle Size Distribution Dissolution

Pharmacokinetics Loosely speaking: the study of what the body does to a drug Absorption Distribution Metabolism Excretion Whole Body Physiologically Based Models provide a unique opportunity to learn about PK actively 4

pHUBpk 5 5 Drug Properties Delivery Mode Patient Properties WBPBPK Calculator Arterial Blood Venous Blood Lung Non Eliminating Tissues Liver Kidney GI/Portal Vein System Patient Library Graphics Tables Drug Library

Implementation 6 R Processed at runtime GUI Tcl/Tk.inf UDE.R Driver UDE Substitutions at runtime Data passed back to GUI for rendering Run Simulation All code runs on the PharmaHUB

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Case Comparison To explore and discover how the various properties influence interface is interactive, we allow users to compare different cases Cases can be different ▫Drugs ▫Subjects ▫Regimens We highlight the differences in the case browser 22

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Wizards simplify The input libraries contain all the relevant quantities There is no need to show the default values to new users Similarly, new users need not be overwhelmed with all of the output Instructors can use a GUI to hide fields and output for simple laboratory class assignments 27

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Summary ▫No cost to users ▫Community tools pHUBpk ▫A collection of active learning environments for pharmacokinetics ▫Users discover trends with simulated empiricism 38