Combining artificial neural networks and experimental design to prediction of kinetic rate constants

DOI10.1007/S10910-013-0170-7MaRDI QIDQ2375867zbMATH OpenOpenAlexFDO

Authors J. L. González-Hernández, M. Mar Canedo, Sonsoles Encinar

Publication date 25 June 2013

Published in Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/s10910-013-0170-7

zbMATH Keywords

artificial neural networksexperimental designs

Mathematics Subject Classification ID

Probabilistic models, generic numerical methods in probability and statistics (65C20) Learning and adaptive systems in artificial intelligence (68T05) Classical flows, reactions, etc. in chemistry (92E20)

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Cites work

• KINMODEL (AGDC): a multipurpose computational method for kinetic treatment

Cited in

(8)

• Computational and experimental approaches for investigating membranes diffusion behavior in model diesel fuel
• Machine learning of the rate constants for the reaction between alkanes and hydrogen/oxygen atom
• ANN-MATOPT hybrid algorithm: determination of kinetic and non-kinetic parameters in different reaction mechanisms
• A robust hybrid algorithm (neural networks-AGDC) applied to non-isothermal kinetics of consecutive chemical reactions
• Time accounting artificial neural networks for biochemical process models
• Artificial neural network prediction for thermal decomposition of potassium nitrate (KNO\(_{3}\)) and benzoic acid (C\(_{6}\)H\(_{5}\)COOH)
• Application of a robust hybrid algorithm (neural networks-AGDC) for the determination of kinetic parameters and discrimination among reaction mechanisms
• Determination of activation thermodynamic parameters by means of the application of the neural networks-AGDC hybrid algorithm

Describes a project that uses

Uses Software

• Matlab
• chemCal

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