Aiming beyond slight increases in accuracy
NATURE REVIEWS CHEMISTRY(2023)
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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