Code and data for the manuscript 'A numerical compass for experiment design in chemical kinetics and molecular property estimation'

The numerical compass (NC) method integrates kinetic models, global optimization, ensemble methods, and machine learning to identify experimental conditions with the greatest potential to constrain kinetic parameters. The approach is based on the quantification of model output variance in an ensemble of solutions that agree with experimental data. The utility of the NC method is demonstrated for the kinetic parameters in a multi-layer model describing the heterogeneous ozonolysis of oleic acid aerosols.