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Best practices in machine learning for chemistry. Article review

[version 1]

01/12/2023| By
Mykyta Mykyta Prud
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Abstract

Before we can dive into statistical learning, we must first create a solid foundation. The article "Best practices in Machine Learning in Chemistry" presents a collection of best practice standards and a matching checklist that can be used as a compass for navigating the challenging field of chemical machine learning. The researchers' goal was to maximize the validity and reproducibility of the conclusions and models derived from these best practices.

Submitted by1 Dec 2023
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  • License: CC BY
  • Review type: Open Review
  • Publication type: Review Article

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