Aiming beyond slight increases in accuracy

NATURE REVIEWS CHEMISTRY(2023)

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摘要
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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关键词
Cheminformatics,Publishing,Chemistry/Food Science,general,Analytical Chemistry,Organic Chemistry,Physical Chemistry,Inorganic Chemistry,Biochemistry
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