Recent advances of machine learning applications in the development of experimental homogeneous catalysis

Machine Learning (ML) stands as a disruptive technology, finding application across a diverse array of scientific disciplines. When applied to homogeneous catalysis, this technology accelerates catalyst discovery through virtual screening, which not only reduces experimental iterations but also yiel...

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Bibliographic Details

Published in:	Artificial Intelligence Chemistry
Main Authors:	Nil Sanosa, David Dalmau, Diego Sampedro, Juan V. Alegre-Requena, Ignacio Funes-Ardoiz
Format:	Article
Language:	English
Published:	Elsevier 2024-06-01
Subjects:	Machine learning Homogeneous catalysis DFT Calculations Predictive models Cheminformatics
Online Access:	http://www.sciencedirect.com/science/article/pii/S2949747724000265