Gaussian 16 computed output files are available in Dataset for “Distortion/Interaction Analysis via Machine Learning” in the University of Bath Research Data Archive (accessible at: https://doi.org/10.15125/BATH-01398). Code is available from https://github.com/the-grayson-group/distortion-interaction_ML.


It has come to the authors' attention that there is a small error in the data repository for this paper. In the process of putting the data archive together, there was a copy error of one le rendering the dataset incomplete. We have now added the missing structure, in a new instance of the data archive at DOI: https://doi.org/10.15125/BATH-01480.
We have also updated the data collection method description on the data archive to better reflect the procedure used.
We have ensured that this error happened aer the research for the paper was completed and therefore, the data, results, and conclusions presented in the paper are unaffected.
The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.