Preparation of a Water–Gas Shift Database to Evaluate the Performance of Noble Metal Catalysts Using Theory-Guided Machine Learning
Joyjit Chattoraj,
Brahim Hamadicharef,
Yusuf Nizar Aris Syadzali
et al.
Abstract:The pursuit of catalyst discovery through machine learning has garnered substantial attention in recent years. The effectiveness of such a framework in uncovering appropriate catalysts hinges greatly on the quality and quantity of data used to train the machine learning models. In this article, we report our work in curating a water−gas shift reaction database from the literature between 2013 and 2021, focusing on the usage of noble metal catalysts for fuel cell applications. Our investigation yields 8908 indi… Show more
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