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Table 1 Description of kboolnet toolkit scripts, their inputs, and their outputs

From: kboolnet: a toolkit for the verification, validation, and visualization of reaction-contingency (rxncon) models

Type

Name

Description

Inputs

Outputs

Simulation engine

BoolNetSim.R

Used by all the VVV modules below. Simulates a model using the BoolNet package [21] given an initial state and set of nodes to inhibit/activate

Model file, initial state, on-list, off-list

Resulting simulation trajectory and attractor as a CSV and a PDF

Verification

VerifyModel.R

Simulates a model under a set of activators and inhibitors while repeatedly toggling a given ligand on and off to check consistency of the resulting attractors

Model file, set of runs with list including initial state, on-list, off-list, and toggled ligand for each run

RData file holding trajectories and attractors for all rounds of simulation, CSVs and PDFs of consolidated trajectories, and XGMML graphs of the state spaces

Validation

TruthTable.R

Simulates a model under all possible combinations of given inhibitors and activators and sees their effect on a set of output nodes

Model file, nodes to activate or inhibit, output nodes, initial state

Truth table PDF/CSV

ScoreNet.R

Simulates a model under the perturbations encoded in a database of experimental data and sees how closely the simulation reflects real-world observations

MIDAS-format experimental database, model file

Mean square error for model, PDFs for experimental results, simulation results, and comparison of the two

SensitivityAnalysis.R

Measures effect of individually inhibiting every node on the effect a ligand has on a set of output nodes

Model file, ligand to toggle, initial state, outputs to monitor

PDF showing semi-quantitative effect of inhibition on ligand to output signal

Visualization

AnimatePath.R

Animates the regulatory graph of a model using a given trajectory CSV

Regulatory graph, trajectory CSV

Animation GIF

PlotModules.R

Makes individual regulatory graphs of each of modules stored in a model file

Model file, list of modules to plot

Regulatory graph XGMML for each module

PlotPath.R

Plots a trajectory CSV

Trajectory CSV

Plot as PDF

PlotPathComparison.R

Aligns two trajectories/attractors and plots an overlay of the two showing (dis)similarities between the two

Two trajectory/attractor CSVs

Comparison plot as PDF