21 citations · 26 across the 6 of their papers we have counts for
Showing 2024Show all
3 papers · 1 filter
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…