Equivariant 3D-Conditional Diffusion Models for Molecular Linker Design

已取消 20 由杨小木发布于 2025/12/14 20:08:12

DOI:10.48550/arXiv.2210.05274
作者：Ilia Igashov,?Hannes St?rk,?Clément Vignac,?Victor Garcia Satorras,?P. Frossard,?Max Welling,?Michael M. Bronstein,?B. Correia
文献类型：期刊论文
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Abstract：Fragment-based drug discovery has been an effective paradigm in early-stage drug development. An open challenge in this area is designing linkers between disconnected molecular fragments of

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