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JCIM｜基于分子空间构象增强描述符的深度学习方法助力超大规模化合物库的虚拟筛选 (qq.com) 参考文献

[1]. Yu, L.; He, X.; Fang, X.; Liu, L.; Liu, J.F. Deep Learning with Geometry-Enhanced Molecular Representation for Augmentation of Large-Scale Docking-Based Virtual Screening. J. Chem. Inf. Model. 2023, doi.org/[10.1021/ac…](doi.org/10.1021/acs…]()

[2]. Fang, X.; Liu, L.; Lei, J.; He, D.; Zhang, S.; Zhou, J.; Wang, F.; Wu, H.; Wang, H. Geometry-enhanced molecular representation learning for property prediction. Nat. Mach. Intell. 2022, 4, 127−134.

[3]. Lyu, J.; Wang, S.; Balius, T. E.; Singh, I.; Levit, A.; Moroz, Y. S.; O’Meara, M. J.; Che, T.; Algaa, E.; Tolmachova, K.; et al. Ultra-large library docking for discovering new chemotypes. Nature 2019, 566, 224−229

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