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Aiming beyond slight increases in accuracy

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Journal Article

Probst, Daniel. 2023. “Aiming beyond Slight Increases in Accuracy.” Nature Reviews Chemistry 7 (4): 227–28. https://doi.org/10.1038/s41570-023-00480-3

Owing to the diminishing returns of deep learning and the focus on model accuracy, machine learning for chemistry might become an endeavour exclusive to well-funded institutions and industry. Extending the focus to model efficiency and interpretability will make machine learning for chemistry more inclusive and drive methodological progress.

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