FFLOM:,fragment-to-lead.

Jieyu Jin1, Dong Wang1, Guqin Shi2

  • 1Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China.

PubMed
概括

一种新的深度学习模型,FFLOM,在设计药物分子方面表现出色,特别是在有限数据的基于片段的药物设计 (FBDD) 中. 它在生成有效,新和准确的分子结构方面展示了最先进的性能.

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