| Predicting regioselectivity in radical C− H functionalization of heterocycles through machine learning X Li, SQ Zhang, LC Xu, X Hong Angewandte Chemie International Edition 59 (32), 13253-13259, 2020 | 90 | 2020 |
| When machine learning meets molecular synthesis JCA Oliveira, J Frey, SQ Zhang, LC Xu, X Li, SW Li, X Hong, L Ackermann Trends in Chemistry 4 (10), 863-885, 2022 | 31 | 2022 |
| Towards Data‐Driven Design of Asymmetric Hydrogenation of Olefins: Database and Hierarchical Learning LC Xu, SQ Zhang, X Li, MJ Tang, PP Xie, X Hong Angewandte Chemie International Edition 60 (42), 22804-22811, 2021 | 27 | 2021 |
| Enantioselectivity prediction of pallada-electrocatalysed C–H activation using transition state knowledge in machine learning LC Xu, J Frey, X Hou, SQ Zhang, YY Li, JCA Oliveira, SW Li, L Ackermann, ... Nature Synthesis 2 (4), 321-330, 2023 | 21 | 2023 |
| Bridging chemical knowledge and machine learning for performance prediction of organic synthesis SQ Zhang, LC Xu, SW Li, JCA Oliveira, X Li, L Ackermann, X Hong Chemistry–A European Journal 29 (6), e202202834, 2023 | 17 | 2023 |
| Data-driven design of new chiral carboxylic acid for construction of indoles with C-central and C–N axial chirality via cobalt catalysis ZJ Zhang, SW Li, JCA Oliveira, Y Li, X Chen, SQ Zhang, LC Xu, T Rogge, ... Nature Communications 14 (1), 3149, 2023 | 16 | 2023 |
| Electrocatalyzed direct arene alkenylations without directing groups for selective late-stage drug diversification Z Lin, U Dhawa, X Hou, M Surke, B Yuan, SW Li, YC Liou, MJ Johansson, ... Nature Communications 14 (1), 4224, 2023 | 12 | 2023 |
| Reaction performance prediction with an extrapolative and interpretable graph model based on chemical knowledge SW Li, LC Xu, C Zhang, SQ Zhang, X Hong Nature Communications 14 (1), 3569, 2023 | 10 | 2023 |
| A molecular stereostructure descriptor based on spherical projection LC Xu, X Li, MJ Tang, LT Yuan, JY Zheng, SQ Zhang, X Hong Synlett 32 (18), 1837-1842, 2021 | 8 | 2021 |
| Exploring Spectrum‐based Molecular Descriptors for Reaction Performance Prediction MJ Tang, LC Xu, SQ Zhang, X Hong Chemistry–An Asian Journal 18 (7), e202300011, 2023 | 2 | 2023 |
| Frontispiece: Bridging Chemical Knowledge and Machine Learning for Performance Prediction of Organic Synthesis SQ Zhang, LC Xu, SW Li, JCA Oliveira, X Li, L Ackermann, X Hong Chemistry–A European Journal 29 (6), e202380662, 2023 | 1 | 2023 |
| Data-Driven Phosphine Ligand Design of Ni-Catalyzed Enantioselective Suzuki–Miyaura Cross-Coupling Reaction for the Synthesis of Biaryl Atropisomers: standing on the shoulder … XY Xu, LC Xu, LG Liu, P Lu, SQ Zhang, X Hong | | 2024 |
