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Yu-Shu Cheng

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Review Open access Aug 2026

How to Build Machine-Learning Models for Molecular Science: A Step-by-Step, Annotated Tutorial

This tutorial provides a comprehensive, end-to-end workflow from raw data to deployed models,icitly designed for environmental chemists with limited prior experience in ML modeling while also providing practical guidance for other users seeking to strengthen their modeling workflows.

Kai Zhang, Yu-Shu Cheng, Hai-Ping Ai et al. · 0 citations

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