Machine Learning Analysis of Literature Data on the Water Gas Shift Reaction toward Extrapolative Prediction of Novel Catalysts

Autor: Shinya Mine, Yuan Jing, Takumi Mukaiyama, Motoshi Takao, Zen Maeno, Ken-ichi Shimizu, Ichigaku Takigawa, Takashi Toyao
Jazyk: angličtina
Rok vydání: 2022
Předmět:
Zdroj: Chemistry letters. 51(3):269-273
ISSN: 0366-7022
Popis: Literature data based on the water gas shift (WGS) reaction have been analyzed using statistical methods based on machine learning (ML). Our ML approach, which considers elemental features as input representations rather than the catalyst compositions, was successfully applied, and new promising catalyst candidates for future research were proposed.
Databáze: OpenAIRE