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Sponsored AI Networking Cookbook: Practical recipes for AI-assisted network automation and development AI Networking Cookbook: Practical recipes for AI-assisted network automation and development

Author

Jiayi Zhang

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Book Open access Aug 2026

Beyond Reaction Data: Learning Chemical Knowledge from Large-Scale Molecules for Retrosynthesis

This work proposes KnowRetro (Knowledge-Guided Retrosynthesis Prediction), a chemically-aware framework that learns chemical knowledge from large-scale unlabeled molecules to enhance the accuracy and diversity of retrosynthesis prediction.

Yu-Jie Chen, Tengfei Ma, Zhou Yu et al. · 0 citations
Aug 2026

Motif-Based Graph Learning for Synthetic Reaction Condition Prediction.

Attention analysis reveals that the proposed novel method for predicting reaction conditions in organic synthesis effectively captures critical motifs closely related to synthetic reaction conditions and exhibits interpretable capabilities.

Jia-Yi Zhang, Yu-Jie Chen, Zhou Yu et al. · 0 citations
Book Open access Aug 2026

Beyond Reaction Data: Learning Chemical Knowledge from Large-Scale Molecules for Retrosynthesis

Retrosynthesis, the process of predicting reactants from products, remains a critical challenge in computational chemistry and drug discovery. While recent deep learning methods have shown strong performance, they remain overly reliant on reaction datasets, which are limited in availability and quality. Large-scale unl...

Yujie Chen, Tengfei Ma, Zhou Yu et al. · 0 citations

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