AI RESEARCH
A Systematic Survey and Benchmark of Deep Learning for Molecular Property Prediction in the Foundation Model Era
arXiv CS.LG
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ArXi:2604.16586v1 Announce Type: new Molecular property prediction integrates quantum chemistry, cheminformatics, and deep learning to connect molecular structure with physicochemical and biological behavior. This survey traces four complementary paradigms, including Quantum, Descriptor Machine Learning, Geometric Deep Learning, and Foundation Models, and outlines a unified taxonomy linking molecular representations, model architectures, and interdisciplinary applications.