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Nature Communications
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March 17, 2021
Quantitative interpretation explains machine learning models for chemical reaction prediction and uncovers bias
Dávid Péter Kovács, William McCorkindale, Alpha A Lee
RSC Medicinal Chemistry
|
March 22, 2024
Deconvoluting low yield from weak potency in direct-to-biology workflows with machine learning
William McCorkindale, Mihajlo Filep, Nir London, et al.
Chemical Communications (Cambridge, England)
|
May 19, 2021
Discovery of SARS-CoV-2 main protease inhibitors using a synthesis-directed <i>de novo</i> design model
Aaron Morris, William McCorkindale, The Covid Moonshot Consortium, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
March 6, 2023
Turning high-throughput structural biology into predictive inhibitor design
Kadi L Saar, William McCorkindale, Daren Fearon, et al.
Chemical Science
|
December 12, 2022
Data-driven discovery of molecular photoswitches with multioutput Gaussian processes
Ryan-Rhys Griffiths, Jake L Greenfield, Aditya R Thawani, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Nature Communications
|
March 17, 2021
Quantitative interpretation explains machine learning models for chemical reaction prediction and uncovers bias
Dávid Péter Kovács, William McCorkindale, Alpha A Lee
RSC Medicinal Chemistry
|
March 22, 2024
Deconvoluting low yield from weak potency in direct-to-biology workflows with machine learning
William McCorkindale, Mihajlo Filep, Nir London, et al.
Chemical Communications (Cambridge, England)
|
May 19, 2021
Discovery of SARS-CoV-2 main protease inhibitors using a synthesis-directed <i>de novo</i> design model
Aaron Morris, William McCorkindale, The Covid Moonshot Consortium, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
March 6, 2023
Turning high-throughput structural biology into predictive inhibitor design
Kadi L Saar, William McCorkindale, Daren Fearon, et al.
Chemical Science
|
December 12, 2022
Data-driven discovery of molecular photoswitches with multioutput Gaussian processes
Ryan-Rhys Griffiths, Jake L Greenfield, Aditya R Thawani, et al.
Page
of 1