Open Access Article
This Open Access Article is licensed under a Creative Commons Attribution 3.0 Unported Licence
Correction: Distortion/interaction analysis via machine learning
Samuel G. Espley
a,
Samuel S. Allsopa,
David Buttarb,
Simone Tomasic and
Matthew N. Grayson*a
aDepartment of Chemistry, University of Bath, Claverton Down, Bath, BA2 7AY, UK. E-mail: M.N.Grayson@bath.ac.uk
bData Science and Modelling, Pharmaceutical Sciences, R&D, AstraZeneca, Macclesfield, UK
cChemical Development, Pharmaceutical Technology & Development, Operations, AstraZeneca, Macclesfield, UK
First published on 6th February 2025
Abstract
Correction for ‘Distortion/interaction analysis via machine learning’ by Samuel G. Espley et al., Digital Discovery, 2024, 3, 2479–2486, https://doi.org/10.1039/D4DD00224E.
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 file 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 after 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.
| This journal is © The Royal Society of Chemistry 2025 |