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Best Practices for ML in Chemistry by Loga Nathan is a document available to read on EtoBox.
What is Best Practices for ML in Chemistry about?
This document discusses best practices for developing reliable and reproducible machine learning models for chemistry applications. It recommends that authors provide details on the data sources and cleaning procedures, model choice and training methodology, and make their code and workflows publicly available. Adopting these guidelines will help establish machine learning as a valid tool for chemistry by ensuring models can be critically assessed and repeated by others.
- Author
- Loga Nathan
- Language
- EN