Which method is more accurate? or errors have error bars
Department of Chemistry, University of Copenhagen, Copenhagen, Denmark
- Published
- Accepted
- Subject Areas
- Biophysics, Computational Biology, Mathematical Biology, Computational Science
- Keywords
- statistical significance
- Copyright
- © 2017 Jensen
- Licence
- This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, reproduction and adaptation in any medium and for any purpose provided that it is properly attributed. For attribution, the original author(s), title, publication source (PeerJ Preprints) and either DOI or URL of the article must be cited.
- Cite this article
- 2017. Which method is more accurate? or errors have error bars. PeerJ Preprints 5:e2693v1 https://doi.org/10.7287/peerj.preprints.2693v1
Abstract
This document is my attempt at distilling some of the information in two papers published by Anthony Nicholls (J. Comput. Aided Mol. Des. 2014, 28, 887; ibid 2016, 30, 103). Anthony also very kindly provided some new equations, not found in the papers, in response to my questions. The paper describes how one determines whether the difference in accuracy of two methods in predicting some properties for the same data set is statistically significant using root-mean-square errors, mean absolute errors, mean errors, and Pearsons r values.
Author Comment
This is a preprint submission to PeerJ Preprints.