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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.
Ingrained prejudices and a lack of action addressing discrimination are some of the main reasons why academic chemistry is overwhelmingly white. Data and discussions on racial inequalities are often greeted with scepticism and cynicism within the community, yet they are necessary to fight racism — and anti-Black racism in particular.