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• W3165300194 abstract "Statistical tools based on machine learning are becoming integrated into chemistry research workflows. We discuss the elements necessary to train reliable, repeatable and reproducible models, and recommend a set of guidelines for machine learning reports." @default.
• W3165300194 created "2021-06-07" @default.
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• W3165300194 date "2021-05-31" @default.
• W3165300194 modified "2023-10-13" @default.
• W3165300194 title "Best practices in machine learning for chemistry" @default.
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• W3165300194 doi "https://doi.org/10.1038/s41557-021-00716-z" @default.
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