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20212026
most citedUAlign: Pushing the Limit of Template-free Retrosynthesis Prediction with Unsupervised SMILES Alignment

21 citations · 30 across the 14 of their papers we have counts for

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Showing 2024Show all

5 papers · 1 filter

cs.AI2024

TrajGEOS: Trajectory Graph Enhanced Orientation-based Sequential Network for Mobility Prediction

Zhaoping Hu, Zongyuan Huang, Jinming Yang +3

Human mobility studies how people move to access their needed resources and plays a significant role in urban planning and location-based services. As a paramount task of human mob…

cs.LG2024★ 1 cited

A General-Purpose Framework for Chemical Reaction Representation with Atomic Correspondence and Flexible Condition Adaptation

Kaipeng Zeng, Xianbin Liu, Yu Zhang +3

Motivation: Organic synthesis is fundamental to the chemical industry, particularly in domains such as pharmaceutical development. While artificial intelligence offers powerful too…

cs.AI2024★ 2 cited

Text-Augmented Multimodal LLMs for Chemical Reaction Condition Recommendation

Yu Zhang, Ruijie Yu, Kaipeng Zeng +5

Identifying reaction conditions that are broadly applicable across diverse substrates is a longstanding challenge in chemical and pharmaceutical research. While many methods are av…

physics.chem-ph2024★ 21 cited

UAlign: Pushing the Limit of Template-free Retrosynthesis Prediction with Unsupervised SMILES Alignment

Kaipeng Zeng, Bo yang, Xin Zhao +5

Motivation: Retrosynthesis planning poses a formidable challenge in the organic chemical industry. Single-step retrosynthesis prediction, a crucial step in the planning process, ha…

cs.CY2024

SA-LSPL:Sequence-Aware Long- and Short- Term Preference Learning for next POI recommendation

Bin Wang, Yan Zhang, Yan Ma +2

The next Point of Interest (POI) recommendation aims to recommend the next POI for users at a specific time. As users' check-in records can be viewed as a long sequence, methods ba…