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Updated: Feb 8, 2026

Using the Open-Source MALDI TOF-MS IDBac Pipeline for Analysis of Microbial Protein and Specialized Metabolite Data
Published on: May 15, 2019
Guest Editorial: Special Topic on Data-Enabled Theoretical Chemistry
Matthias Rupp1, O Anatole von Lilienfeld2, Kieron Burke3
1Fritz Haber Institute of the Max Planck Society, Faradayweg 4-6, 14195 Berlin, Germany.
Abstract:
A survey of the contributions to the Special Topic on Data-enabled Theoretical Chemistry is given, including a glossary of relevant machine learning terms.
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