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Organic Chemistry

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Theoretical and Computational Chemistry

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Daniel Wigh

3 results in Authors: Daniel Wigh

Organic Chemistry

Accelerated Chemical Reaction Optimization using Multi-Task Learning

Connor Taylor, Kobi Felton, Daniel Wigh, Mohammed Jeraal, Rachel Grainger, Gianni Chessari, Christopher Johnson, Alexei Lapkin

Version 1 posted 30 January 2023

641

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Organic Chemistry

Multi-task Bayesian Optimization of Chemical Reactions

Kobi Felton, Daniel Wigh, Alexei Lapkin

Version 2 posted 20 April 2021

2,014

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3

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Theoretical and Computational Chemistry

ORDerly: Datasets and benchmarks for chemical reaction data

Daniel Wigh, Joe Arrowsmith, Alexander Pomberger, Kobi Felton, Alexei Lapkin

Version 2 posted 30 August 2023

2,098

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