AI RESEARCH
BInD: Bond and Interaction-generating Diffusion Model for Multi-objective Structure-based Drug Design
arXiv CS.LG
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ArXi:2405.16861v3 Announce Type: replace-cross Recent remarkable advancements in geometric deep generative models, coupled with accumulated structural data, enable structure-based drug design (SBDD) using only target protein information. However, existing models often struggle to balance multiple objectives, excelling only in specific tasks. BInD, a diffusion model with knowledge-based guidance, is