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Theoretical and Computational Chemistry

Working Paper

Characterizing Uncertainty in Machine Learning for Chemistry

Esther Heid, Charles J. McGill, Florence H. Vermeire, William H. Green

Version 3 posted 17 May 2023

888

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Theoretical and Computational Chemistry

Working Paper

Spatially resolved uncertainties for machine learning potentials

Esther Heid, Johannes Schörghuber, Ralf Wanzenböck, Georg. K. H. Madsen

Version 2 posted 02 August 2024

403

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Energy

Working Paper

Attention towards chemistry agnostic and explainable battery lifetime prediction

Fuzhan Rahmanian, Robert M. Lee, Dominik Linzner, Kathrin Michel, Leon Merker, Balazs B. Berkes, Leah Nuss, Helge Sören Stein

Version 2 posted 12 December 2023

789

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Chemical Engineering and Industrial Chemistry

Working Paper

Sustainable Triacetic Acid Lactone Production from Sugarcane by Fermentation and Crystallization

Sarang Bhagwat, Marco Dell'Anna, Yalin Li, Mingfeng Cao, Emma Brace, Sunil Bhagwat, George Huber, Huimin Zhao, Jeremy Guest

Version 3 posted 28 October 2024

328

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Biological and Medicinal Chemistry

Working Paper

Conformal efficiency as a metric for comparative model assessment befitting federated learning

Wouter Heyndrickx, Adam Arany, Jaak Simm, Anastasia Pentina, Noe Sturm, Lina Humbeck, Lewis Mervin, Adam Zalewski, Martijn Oldenhof, Peter Schmidtke, Lukas Friedrich, Regis Loeb, Arina Afanasyeva, Yves Moreau, Hugo Ceulemans

Version 1 posted 22 June 2022

559

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Analytical Chemistry

Working Paper

Uncertainty Quantification of Michaelis-Menten Kinetic Rates and Its Application to the Analysis of CRISPR-Based Diagnostics

Alexandre S. Avaro, Juan G. Santiago

Version 1 posted 12 September 2022

500

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Chemical Education

Working Paper

Who Makes the Call --- and How?

Camilla Kao, Che-I Kao

Version 2 posted 21 March 2018

973

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Chemical Engineering and Industrial Chemistry

Working Paper

Advancing the economic and environmental sustainability of the NEWgeneratorTM non-sewered sanitation system

Shion Watabe, Hannah Lohman, Yalin Li, Victoria Morgan, Lewis Rowles, Tyler Stephen, Hsiang-Yang Shyu, Robert Bair, Cynthia Castro, Roland Cusick, Daniel Yeh, Jeremy Guest

Version 2 posted 31 January 2023

312

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Chemical Engineering and Industrial Chemistry

Working Paper

Financial viability and environmental sustainability of fecal sludge treatment with Omni Processors

Lewis Rowles, Victoria Morgan, Yalin Li, Xinyi Zhang, Shion Watabe, Tyler Stephen, Hannah Lohman, Derek DeSouza, Jeff Hallowell, Roland Cusick, Jeremy Guest

Version 1 posted 11 April 2022

396

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Chemical Education

Working Paper

A Unifying Principle for a Researcher Learning Safety: Reduce Uncertainty!

Camilla Kao, Russell Furr

Version 5 posted 07 March 2018

1,430

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Refine Search

10 results in Uncertainty in Keywords: Uncertainty

Characterizing Uncertainty in Machine Learning for Chemistry

Spatially resolved uncertainties for machine learning potentials

Attention towards chemistry agnostic and explainable battery lifetime prediction

Sustainable Triacetic Acid Lactone Production from Sugarcane by Fermentation and Crystallization

Conformal efficiency as a metric for comparative model assessment befitting federated learning

Uncertainty Quantification of Michaelis-Menten Kinetic Rates and Its Application to the Analysis of CRISPR-Based Diagnostics

Who Makes the Call --- and How?

Advancing the economic and environmental sustainability of the NEWgeneratorTM non-sewered sanitation system

Financial viability and environmental sustainability of fecal sludge treatment with Omni Processors

A Unifying Principle for a Researcher Learning Safety: Reduce Uncertainty!

10 results in Keywords: Uncertainty