CheKiPEUQ Intro 2: Harnessing Uncertainties from Data Sets, Bayesian Design of Experiments in Chemical Kinetics**
Author:
Affiliation:
1. Institute for Computational and Data Sciences Chemical and Biological Engineering University at Buffalo Buffalo NY-14260 USA
2. Surface Chemistry and Catalysis group Oak Ridge National Laboratory 1 Bethel Valley Road Oak Ridge TN-37830 USA
Funder
Basic Energy Sciences
Publisher
Wiley
Subject
Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Catalysis
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/cctc.202000976
Reference50 articles.
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4. Learning To Predict Reaction Conditions: Relationships between Solvent, Molecular Structure, and Catalyst
5. What Does the Machine Learn? Knowledge Representations of Chemical Reactivity
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