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Zhengkai Tu
Zhengkai Tu
Verified email at mit.edu
Title
Cited by
Cited by
Year
Permutation invariant graph-to-sequence model for template-free retrosynthesis and reaction prediction
Z Tu, CW Coley
Journal of Chemical Information and Modeling 62 (15), 3503-3513, 2022
752022
Predictive chemistry: machine learning for reaction deployment, reaction development, and reaction discovery
Z Tu, T Stuyver, CW Coley
Chemical science 14 (2), 226-244, 2023
482023
MolScribe: Robust Molecular Structure Recognition with Image-to-Graph Generation
Y Qian, J Guo, Z Tu, Z Li, CW Coley, R Barzilay
Journal of Chemical Information and Modeling 63 (7), 1925-1934, 2023
322023
Rapid Adaptation of BERT for Information Extraction on Domain-Specific Business Documents
R Zhang, W Yang, L Lin, Z Tu, Y Xie, Z Fu, Y Xie, L Tan, K Xiong, J Lin
arXiv preprint arXiv:2002.01861, 2020
292020
Improving the performance of models for one-step retrosynthesis through re-ranking
MH Lin, Z Tu, CW Coley
Journal of cheminformatics 14 (1), 15, 2022
192022
RxnScribe: A sequence generation model for reaction diagram parsing
Y Qian, J Guo, Z Tu, CW Coley, R Barzilay
Journal of Chemical Information and Modeling 63 (13), 4030-4041, 2023
142023
Approximate Nearest Neighbor Search and Lightweight Dense Vector Reranking in Multi-Stage Retrieval Architectures
Z Tu, W Yang, Z Fu, Y Xie, L Tan, K Xiong, M Li, J Lin
Proceedings of the 2020 ACM SIGIR on International Conference on Theory of …, 2020
122020
FusionRetro: Molecule Representation Fusion via In-Context Learning for Retrosynthetic Planning
S Liu, Z Tu, M Xu, Z Zhang, L Lin, R Ying, J Tang, P Zhao, D Wu
International Conference on Machine Learning, 22028-22041, 2023
82023
Predictive Chemistry Augmented with Text Retrieval
Y Qian, Z Li, Z Tu, CW Coley, R Barzilay
arXiv preprint arXiv:2312.04881, 2023
52023
Robust Molecular Image Recognition: A Graph Generation Approach
Y Qian, Z Tu, J Guo, CW Coley, R Barzilay
arXiv preprint arXiv:2205.14311, 2022
42022
Don’t Change Me! User-Controllable Selective Paraphrase Generation
M Zhang, L Tan, Z Fu, K Xiong, J Lin, M Li, Z Tu
Proceedings of the 16th Conference of the European Chapter of the …, 2021
32021
Beyond Major Product Prediction: Reproducing Reaction Mechanisms with Machine Learning Models Trained on a Large-Scale Mechanistic Dataset
JF Joung, MH Fong, J Roh, Z Tu, J Bradshaw, CW Coley
arXiv preprint arXiv:2403.04580, 2024
2024
Computer‐Assisted Synthesis Planning
Z Tu, I Levin, CW Coley
Enabling Tools and Techniques for Organic Synthesis: A Practical Guide to …, 2023
2023
Scalable Model for Reaction Outcome Prediction and One-step Retrosynthesis with a Graph-to-Sequence Architecture
Z Tu
Massachusetts Institute of Technology, 2022
2022
Thermochemical Processing of Biomass: Graphic User Interface Models for Costing and Material Balances Calculations
R Fatoni, A Abdulrazik, Z Tu, A Elkamel
Proceedings of the 2016 International Conference on Industrial Engineering …, 2016
2016
Techno-economic analysis of a peatland gasification process for methanol synthesis and power production
M Elsholkami, M Warren, C Huang, S Peters, Z Tu, A Elkamel, ...
Proceedings of the 2016 International Conference on Industrial Engineering …, 2016
2016
Reproducing Reaction Mechanisms with Machine Learning Models Trained on a Large‐Scale Mechanistic Dataset
JF Joung, MH Fong, J Roh, Z Tu, J Bradshaw, CW Coley
Angewandte Chemie International Edition, e202411296, 0
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Articles 1–17