| Retroxpert: Decompose retrosynthesis prediction like a chemist C Yan, Q Ding, P Zhao, S Zheng, J Yang, Y Yu, J Huang Advances in Neural Information Processing Systems 33, 11248-11258, 2020 | 103 | 2020 |
| Vinyldiazo reagents and metal catalysts: a versatile toolkit for heterocycle and carbocycle construction QQ Cheng, Y Yu, J Yedoyan, MP Doyle ChemCatChem 10 (3), 488-496, 2018 | 49 | 2018 |
| Displacement of dinitrogen by oxygen: a methodology for the catalytic conversion of diazocarbonyl compounds to ketocarbonyl compounds by 2, 6-dichloropyridine-N-oxide Y Yu, Q Sha, H Cui, KS Chandler, MP Doyle Organic letters 20 (3), 776-779, 2018 | 30 | 2018 |
| Catalytic Oxidative Cleavage Reactions of Arylalkenes by tert-Butyl Hydroperoxide – A Mechanistic Assessment YL Su, L De Angelis, L Tram, Y Yu, MP Doyle The Journal of Organic Chemistry 85 (5), 3728-3741, 2020 | 22 | 2020 |
| A novel scalarized scaffold hopping algorithm with graph-based variational autoencoder for discovery of JAK1 inhibitors Y Yu, T Xu, J Li, Y Qiu, Y Rong, Z Gong, X Cheng, L Dong, W Liu, J Li, ... ACS omega 6 (35), 22945-22954, 2021 | 20 | 2021 |
| A dual diffusion model enables 3D binding bioactive molecule generation and lead optimization given target pockets L Huang, T Xu, Y Yu, P Zhao, KC Wong, H Zhang Nature Communications 3, 2657, 2024 | 18* | 2024 |
| RetroComposer: composing templates for template-based retrosynthesis prediction C Yan, P Zhao, C Lu, Y Yu, J Huang Biomolecules 12 (9), 1325, 2022 | 18 | 2022 |
| Desymmetrization of Bicyclo[3.n.1]-3-one Derivatives by Palladium-Catalyzed Asymmetric Allylic Alkylation Y Yu, XF Yang, CF Xu, CH Ding, XL Hou Organic letters 15 (15), 3880-3883, 2013 | 18 | 2013 |
| Accelerated discovery of macrocyclic CDK2 inhibitor QR-6401 by generative models and structure-based drug design Y Yu, J Huang, H He, J Han, G Ye, T Xu, X Sun, X Chen, X Ren, C Li, H Li, ... ACS Medicinal Chemistry Letters 14 (3), 297-304, 2023 | 13 | 2023 |
| Meta-learning with motif-based task augmentation for few-shot molecular property prediction Z Meng, Y Li, P Zhao, Y Yu, I King Proceedings of the 2023 SIAM International Conference on Data Mining (SDM …, 2023 | 11 | 2023 |
| Catalytic Allylic Oxidation of Cyclic Enamides and 3,4-Dihydro-2H-Pyrans by TBHP Y Yu, R Humeidi, JR Alleyn, MP Doyle The Journal of organic chemistry 82 (16), 8506-8513, 2017 | 7 | 2017 |
| MARS: a motif-based autoregressive model for retrosynthesis prediction J Liu, C Yan, Y Yu, C Lu, J Huang, L Ou-Yang, P Zhao Bioinformatics 40 (3), btae115, 2024 | 5 | 2024 |
| A unified view of deep learning for reaction and retrosynthesis prediction: Current status and future challenges Z Meng, P Zhao, Y Yu, I King IJCAI '23: Proceedings of the Thirty-Second International Joint Conference …, 2023 | 5 | 2023 |
| Doubly stochastic graph-based non-autoregressive reaction prediction Z Meng, P Zhao, Y Yu, I King IJCAI '23: Proceedings of the Thirty-Second International Joint Conference …, 2023 | 5 | 2023 |
| Imdrug: A benchmark for deep imbalanced learning in ai-aided drug discovery L Li, L Zeng, Z Gao, S Yuan, Y Bian, B Wu, H Zhang, Y Yu, C Lu, Z Zhou, ... arXiv preprint arXiv:2209.07921, 2022 | 5 | 2022 |
| Artificial intelligence-based drug molecule processing method and apparatus, device, storage medium, and computer program product Y Yu, L Zheng, Y Liu US Patent App. 17/977,536, 2023 | 3 | 2023 |
| Method and apparatus for processing molecular scaffold transition, medium, electronic device, and computer program product XC Tingyang Xu, Yang Yu, Yu Rong, Wei Liu, Junzhou Huang, TU Guiping, Yaping Qiu US Patent App. 17/992,778, 2023 | 2* | 2023 |
| Cycloaddition Reactions of Carbonyl Ylides Derived From Enones Y Yu, L Cornelissen, WT Wong, P Chiu Synlett 26 (11), 1553-1556, 2015 | 2 | 2015 |
| Dirhodium (II) Tetrakis (trifluoroacetate) MP Doyle, HML Davies, JR Manning, Y Yu Encyclopedia of Reagents for Organic Synthesis, 1-7, 2001 | 1 | 2001 |
| Molecular structure reconstruction method and apparatus, device, storage medium, and program product T Xu, J Huang, XU Shaoyong, L Tian, X Chen, W Liu, J Huang, D Xue, ... US Patent App. 18/073,521, 2023 | | 2023 |
Peilin Zhao (赵沛霖)Tencent在 tencent.com 的电子邮件经过验证
