Enantioselective synthesis of atropisomers featuring pentatomic heteroaromatics by Pd-catalyzed C–H alkynylation S Zhang, QJ Yao, G Liao, X Li, H Li, HM Chen, X Hong, BF Shi ACS Catalysis 9 (3), 1956-1961, 2019 | 176 | 2019 |
Trapping white phosphorus within a purely organic molecular container produced by imine condensation T Jiao, L Chen, D Yang, X Li, G Wu, P Zeng, A Zhou, Q Yin, Y Pan, B Wu, ... Angewandte Chemie International Edition 56 (46), 14545-14550, 2017 | 93 | 2017 |
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 | 91 | 2020 |
Reactivity profiles of diazo amides, esters, and ketones in transition-metal-free C–H insertion reactions SE Cleary, X Li, LC Yang, KN Houk, X Hong, M Brewer Journal of the American Chemical Society 141 (8), 3558-3565, 2019 | 37 | 2019 |
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 |
Coulombic-enhanced hetero radical pairing interactions X Zheng, Y Zhang, N Cao, X Li, S Zhang, R Du, H Wang, Z Ye, Y Wang, ... Nature Communications 9 (1), 1961, 2018 | 29 | 2018 |
Mechanism and origins of chemo-and regioselectivities of Pd-catalyzed intermolecular σ-bond exchange between benzocyclobutenones and silacyclobutanes: a computational study ZY Xu, SQ Zhang, JR Liu, PP Chen, X Li, HZ Yu, X Hong, Y Fu Organometallics 37 (4), 592-602, 2018 | 29 | 2018 |
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 | 28 | 2021 |
Computational studies on Ni-catalyzed C− O bond activation of esters X Li, X Hong Journal of Organometallic Chemistry 864, 68-80, 2018 | 22 | 2018 |
Machine learning prediction of hydrogen atom transfer reactivity in photoredox-mediated C–H functionalization LC Yang, X Li, SQ Zhang, X Hong Organic Chemistry Frontiers 8 (22), 6187-6195, 2021 | 19 | 2021 |
In situ quantitative determination of the intermolecular attraction between amines and a graphene surface using atomic force microscopy Y Zhang, X Zhu, X Li, B Chen Journal of Colloid and Interface Science 581, 385-395, 2021 | 18 | 2021 |
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 |
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 |
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 |
Divergent pathway and reactivity control of intramolecular arene C–H vinylation by vinyl cations X Li, SQ Zhang, X Hong Organic & Biomolecular Chemistry 17 (41), 9135-9139, 2019 | 1 | 2019 |
Multi-constraint molecular generation using sparsely labelled training data for localized high-concentration electrolyte diluent screening JP Mailoa, X Li, J Qiu, S Zhang Digital Discovery 2 (5), 1390-1403, 2023 | | 2023 |