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Sponsored AI AM CLAUDE, A Beginner's Guide: Learn the basics of working with AI AI AM CLAUDE, A Beginner's Guide: Learn the basics of working with AI

Author

Ding Wang

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Open access Oct 2026

Reaction-aware hypergraph learning of chemical representations with LARK

LARK is introduced, a unified framework for learning atom–molecule–reaction knowledge from chemical transformations that learns chemically informative representations of substructures involved in molecular transformations and establishes chemical transformations as a source of structured supervision for representation...

Jian-Bo Qiao, Yu-Hang Liu, Jun-Ru Jin et al. · 0 citations
Jul 2026

Relation-Aware Pretraining and Reaction Center Modeling for Chemical Reaction Graph Representation Learning.

Evaluations across three downstream tasks show that KAGT achieves strong performance relative to existing baselines in reaction classification, reaction condition prediction, and yield prediction, supporting KAGT as a transferable representation framework for AI-driven chemical synthesis.

Jian-Bo Qiao, Ke-Fei Li, Jun-Ru Jin et al. · 1 citation

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