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, Yushu Cheng, Haiping Ai et al.
· ACS Environmental Au · 0 citations