The automated discovery of kinetic rate models – methodological frameworks

The automated discovery of kinetic rate models – methodological frameworks

Digital Discovery, 2024, Advance Article
DOI: 10.1039/D3DD00212H, Paper
Open Access
Miguel Ángel de Carvalho Servia, Ilya Orson Sandoval, King Kuok (Mimi) Hii, Klaus Hellgardt, Dongda Zhang, Ehecatl Antonio del Rio Chanona
Two automated knowledge discovery methodologies (ADoK-S & ADoK-W) are created whereby symbolic regression, parameter estimation, information criteria and model-based design of experiments synergize for the optimized discovery of kinetic rate models.
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