Tu, Zhengkai

1. Permutation invariant graph-to-sequence model for template-free retrosynthesis and reaction prediction
   2021/10/19 by Zhengkai Tu, Connor W. Coley, Tu, Zhengkai +1 · 7 citations
   Chemistry · Computer Science · Materials Science · #Asymmetric Hydrogenation and Catalysis #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Topic Modeling
2. RxnScribe: A Sequence Generation Model for Reaction Diagram Parsing
   2023/05/19 by Qian, Yujie, Guo, Jiang, Tu, Zhengkai +2 · 4 citations
   #Artificial Intelligence (cs.AI) #Computation and Language (cs.CL) #Computer Vision and Pattern Recognition (cs.CV) #FOS: Computer and information sciences
3. FusionRetro: Molecule Representation Fusion via In-Context Learning for Retrosynthetic Planning
   2022/09/30 by Songtao Liu, Liu, Songtao, Tu, Zhengkai +13 · 3 citations
   Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Biomolecules (q-bio.BM) #Chemical Physics (physics.chem-ph) #Chemical Synthesis and Analysis #Computational Drug Discovery Methods #FOS: Biological sciences #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Quantitative Methods (q-bio.QM)
4. Evaluating Molecule Synthesizability via Retrosynthetic Planning and Reaction Prediction
   2024/11/13 by Liu, Songtao, Zhang, Dandan, Tu, Zhengkai +2 · 1 voice · 4 citations
   #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG) #Quantitative Methods (q-bio.QM)
5. Predictive Chemistry Augmented with Text Retrieval
   2023/12/08 by Qian, Yujie, Li, Zhening, Tu, Zhengkai +2 · 2 citations
   #Artificial Intelligence (cs.AI) #Computation and Language (cs.CL) #FOS: Computer and information sciences #Information Retrieval (cs.IR)
6. ASKCOS: an open source software suite for synthesis planning
   2025/01/03 by Zhengkai Tu, Tu, Zhengkai, Sourabh J. Choure +33 · 2 citations
   Engineering · #Artificial Intelligence (cs.AI) #FOS: Computer and information sciences #Manufacturing Process and Optimization