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Organic Chemistry

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Theoretical and Computational Chemistry

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William McCorkindale

3 results in Authors: William McCorkindale

Theoretical and Computational Chemistry

The Photoswitch Dataset: A Molecular Machine Learning Benchmark for the Advancement of Synthetic Chemistry

Aditya Raymond Thawani, Ryan-Rhys Griffiths, Arian Jamasb, Anthony Bourached, Penelope Jones, William McCorkindale, Alexander Aldrick, Alpha Lee

Version 1 posted 06 July 2020

1,593

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3

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Theoretical and Computational Chemistry

Quantitative Interpretation Explains Machine Learning Models for Chemical Reaction Prediction and Uncovers Bias

David Peter Kovacs, William McCorkindale, Alpha Lee

Version 1 posted 08 October 2020

569

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Organic Chemistry

Deconvoluting Low Yield from Weak Potency in Direct-to-Biology Workflows with Machine Learning

William McCorkindale, Mihajlo Filep, Nir London, Alpha A. Lee, Emma King-Smith

Version 2 posted 09 February 2024

534

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