RESEARCH PAPER · Physical Chemistry Chemical Physics · 2025
Harnessing the leading edge: machine learning ventures in chemistry and materials science
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Investigating Tree‐Based Models Across Positive–Unlabeled Learning Frameworks for Crystal Synthesizability Prediction
Advanced Theory and Simulations · 2026-04-01
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Read original paper ↗ ·Chemistry-Informed Machine Learning Framework for Predicting Structural Properties in Osmabenzene Complexes
The Journal of Physical Chemistry Letters · 2026-06-11
Linchao Zhu, Xin Qin, Jun Chen, Tianmin Wu, Lu Zhang, Zhe‐Ning Chen
Read original paper ↗ ·Integrating High-Throughput DFT and Machine Learning for Predictive Design of Hydrogen-Donor Solvents in Coal Liquefaction
ACS Omega · 2026-06-24
Runze Zhao, QiZhao Liu, Congfu Lin, Jing Xie, Dao Li, Rongheng Gou, Lei Gong, Shansong Gao
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