Correction to: Nature Communications https://doi.org/10.1038/s41467-020-17035-5, published online 26 June 2020.
In the original version of this article, some text was missing from the legends of Figure 5 and Figure 6.
The legend of Figure 5 originally read:
“CO2 interaction energy distribution shown as horizontal violin plots for the first, second, and third active-learning steps. The height of the shape shows the frequency of occurrences..”
The correct version states:
“CO2 interaction energy distribution shown as horizontal violin plots for the first, second, and third active-learning steps. a CM, b BoB, c SOAP, and d PI. The height of the shape shows the frequency of occurrences…”
This has been corrected in both the PDF and HTML version of the article.
The legend of Figure 6 originally read:
“Predicted CO2 and N2 interaction energies (in kcal mol−1) for all molecules in the GDB-9 database using four molecular representation models. Only the model that utilized the PI molecular representation …”
The correct version states:
“Predicted CO2 and N2 interaction energies (in kcal mol−1) for all molecules in the GDB-9 database using four molecular representation models. a CM, b BoB, c SOAP, and d PI. Only the model that utilized the PI molecular representation.”
This has been corrected in both the PDF and HTML version of the article.
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Townsend, J., Micucci, C.P., Hymel, J.H. et al. Author Correction: Representation of molecular structures with persistent homology for machine learning applications in chemistry. Nat Commun 11, 3579 (2020). https://doi.org/10.1038/s41467-020-17423-x
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DOI: https://doi.org/10.1038/s41467-020-17423-x
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