README.txt

 Created on: 29 Mar 2013
     Author: Gary Mirams

This project contains everything that is necessary to reproduce the results of the paper
"Variability in high-throughput ion-channel screening data and consequences for cardiac safety assessment"
Elkins et al., Journal of Pharmacological and Toxicological Methods, 2013.

Simulations depend on having an installation of Chaste v3.1 available. 
This project is not guaranteed to be compatible with any other version of Chaste.

The matlab analysis of the variability data can be performed without Chaste v3.1

Contents: 

 * build (autogenerated contents - can be ignored)
 
 * data  
   * AZ_variability_data  Raw pIC50 and Hill coefficients from AZ controls.
   * graphs  Matlab scripts to reproduce all of the analysis of simulations and other figures in the paper.
   * GSK_variability_data  Raw pIC50 and Hill coefficients from GSK controls
   * results  The raw results of the simulations that can be used if you don't want to install and run Chaste.
   
 * paper  An output folder for images that featured in the paper and supplement
 
 * src  C++ files that are compiled into the build folder to run simulations.
 
 * test  Tests of the code in 'src' and the main 'test' that runs the simulations (TestPic50Distributions.hpp)
   * HTS_data.txt - data on the tst compounds used as simulation inputs.

If you have any queries about this project please contact Gary Mirams <gary.mirams@cs.ox.ac.uk>.