Table 1.

gQSPSim components and features

Items	Description
General
SimBiology Project	A SimBiology .sbproj file containing the models of interest
gQSPSim GUI	Graphical user interface for gQSPSim, providing methods for development and utilization of SimBiology models
Session File	A MATLAB .qsp.mat file containing settings, building blocks, and functionalities created for one or more SimBiology projects
Building blocks	Tasks, parameters, datasets, acceptance criteria, target statistics, and virtual subjects
Functionalities	Simulation, Optimization, Virtual Cohort Generation, and Virtual Population Generation
Menus
File	New: Create new session file Open: Open a saved session file Open recent: Open a recently opened file Close: Close a session file Save: Save the session file Save as: Save the session file with a new name Exit: Exit the QSP app
QSP	Add new item: add new items in the building blocks and functionalities Delete selected item Restore deleted item
Features and functionalities
	Simulation and creation of virtual subjects, cohorts, and populations Timestamps and annotations for each workflow component Interactive visualization of results Extended plot settings (Figure S7) Exporting plots as figures and data as Excel files No need for session updates when changes are made to the content of external files (.sbproj or Excel files) if files names and relationships do not change Autosave feature for periodic saving or before events Parallel processing to speed up execution Easy to share across OS platforms
Views
Summary	Highlights the name, description, results path, and a high‐level overview of the dataset, tasks, parameters, species‐data mapping, initial conditions, and so forth, defined in each building block or functionality
Edit	Allows the user to specify/change the different inputs mentioned in the summary view specific to each building block or functionality
Visualization	Visualization of functionality outputs including simulated time profiles for selected species and diagnostic plots for Virtual Cohorts Generation

GUI, graphical user interface; OS, operating system; QSP, quantitative systems pharmacology.