RESEARCH PAPER · Chemical Communications · 2023
Predicting and analyzing organic reaction pathways by combining machine learning and reaction network approaches
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ENGINEERING Chemical Engineering · 2026-01-08
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Read original paper ↗ ·Finding Pathways in Reaction Networks Guided by Energy Barriers Using Integer Linear Programing
Molecular Informatics · 2026-03-01
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Read original paper ↗ ·Fine-Tuning Directional Message Passing Neural Networks: Predicting Properties of Conjugated Organic Polymers with High Accuracy
Polymers · 2026-04-02
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