
doi: 10.1038/s41467-023-43836-5 , 10.5281/zenodo.10033139 , 10.5281/zenodo.7854644 , 10.3929/ethz-b-000646542
pmid: 38042926
pmc: PMC10693572
handle: 20.500.11850/646542
doi: 10.1038/s41467-023-43836-5 , 10.5281/zenodo.10033139 , 10.5281/zenodo.7854644 , 10.3929/ethz-b-000646542
pmid: 38042926
pmc: PMC10693572
handle: 20.500.11850/646542
AbstractSynthesis protocol exploration is paramount in catalyst discovery, yet keeping pace with rapid literature advances is increasingly time intensive. Automated synthesis protocol analysis is attractive for swiftly identifying opportunities and informing predictive models, however such applications in heterogeneous catalysis remain limited. In this proof-of-concept, we introduce a transformer model for this task, exemplified using single-atom heterogeneous catalysts (SACs), a rapidly expanding catalyst family. Our model adeptly converts SAC protocols into action sequences, and we use this output to facilitate statistical inference of their synthesis trends and applications, potentially expediting literature review and analysis. We demonstrate the model’s adaptability across distinct heterogeneous catalyst families, underscoring its versatility. Finally, our study highlights a critical issue: the lack of standardization in reporting protocols hampers machine-reading capabilities. Embracing digital advances in catalysis demands a shift in data reporting norms, and to this end, we offer guidelines for writing protocols, significantly improving machine-readability. We release our model as an open-source web application, inviting a fresh approach to accelerate heterogeneous catalysis synthesis planning.
Heterogeneous catalysis, Synthesis protocols, Data standardization, Natural language processing, Deep learning, Science, Q, Heterogenous catalysis, Heterogenous catalysis; Materials for energy and catalysis, Article, Materials for energy and catalysis
Heterogeneous catalysis, Synthesis protocols, Data standardization, Natural language processing, Deep learning, Science, Q, Heterogenous catalysis, Heterogenous catalysis; Materials for energy and catalysis, Article, Materials for energy and catalysis
| selected citations These citations are derived from selected sources. This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | 40 | |
| popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network. | Top 10% | |
| influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | Top 10% | |
| impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network. | Top 1% |
