Transformation towards digital synthesis of single-atom catalysts by leveraging language models and protocol standardization

Manu Suvarna; Alain Claude Vaucher; Sharon Mitchell; Teodoro Laino; Javier Pérez-Ramírez

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ZENODO

Article . 2023

License: CC BY

Data sources: Datacite

ZENODO

Article . 2023

License: CC BY

Data sources: ZENODO

Transformation towards digital synthesis of single-atom catalysts by leveraging language models and protocol standardization

descriptionPublicationkeyboard_double_arrow_right Article 22 Apr 2023 English Publisher:Zenodo

Authors: Manu Suvarna; Alain Claude Vaucher; Sharon Mitchell; Teodoro Laino; Javier Pérez-Ramírez;

doi: 10.5281/zenodo.7854645

Transformation towards digital synthesis of single-atom catalysts by leveraging language models and protocol standardization

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Abstract

The repository contains excel files with data on the 127 paragraphs used for model training and a separate set of 145 paragraphs which were used for statistically analyze the synthetic routes in SAC literature. The DOIs for the respective papers are included in the excel sheets. The data on annotations performed on docanno platform are presented as JSON file.

Keywords

Heterogeneous catalysis, Synthesis protocols, Data standardization, Natural language processing, Deep learning

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