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Stereoisomers Are Not Machine Learning’s Best Friends

by Tahıl, Gökhan, Delorme, Fabien, Le Berre, Daniel, Monflier, Éric, Sayede, Adlane, Tilloy, Sébastien
Published in Journal of chemical information and modeling (22.07.2024)

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Curated dataset of association constants between a cyclodextrin and a guest for machine learning

by Tahıl, Gökhan, Delorme, Fabien, Le Berre, Daniel, Monflier, Éric, Sayede, Adlane, Tilloy, Sébastien
Published in Chemical Data Collections (01.06.2023)

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Journal Article

Stereoisomers Are Not Machine Learning’s Best Friends

Curated dataset of association constants between a cyclodextrin and a guest for machine learning

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