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A machine learning framework for the analysis and pbkp_rediction of catalytic activity from experimental data
ArticleAbstract: We present a machine learning framework to explore the pbkp_redictability limits of catalytic activiPalabras claves:Catalysis, Data Analysis, High-dimensional, Machine learning, pbkp_redictabilityAutores:Dumesic J., Huber G.W., Keane A., Smith A.D., Víctor M. ZavalaFuentes:scopusOn the integration of molecular dynamics, data science, and experiments for studying solvent effects on catalysis
ReviewAbstract: Computational workflows that combine molecular dynamics (MD) simulations and emerging data-centric (Palabras claves:Autores:Huber G.W., Je L., Van Lehn R.C., Víctor M. ZavalaFuentes:scopus