设计基于交互式深度学习

IF 12.9 1区生物学 Q1 BIOCHEMISTRY & MOLECULAR BIOLOGY

Nature chemical biology Pub Date : 2024-10-18 DOI:10.1038/s41589-024-01754-7

Xueying Mao, Yanyi Chu, Dongqing Wei

引用次数: 0

摘要

快速准确地预测潜在的类药物分子是全新药物设计所面临的巨大挑战。我们开发了一种基于交互组的深度学习方法，其性能优于标准化学语言模型。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Designed with interactome-based deep learning

查看原文本刊更多论文

Designed with interactome-based deep learning

Predicting prospective drug-like molecules quickly and accurately is a considerable challenge for de novo drug design. An interactome-based deep learning method has been developed that outperforms standard chemical language models.

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊

Nature chemical biology 生物-生化与分子生物学

CiteScore

23.90

自引率

1.40%

发文量

238

审稿时长

12 months

期刊介绍： Nature Chemical Biology stands as an esteemed international monthly journal, offering a prominent platform for the chemical biology community to showcase top-tier original research and commentary. Operating at the crossroads of chemistry, biology, and related disciplines, chemical biology utilizes scientific ideas and approaches to comprehend and manipulate biological systems with molecular precision. The journal embraces contributions from the growing community of chemical biologists, encompassing insights from chemists applying principles and tools to biological inquiries and biologists striving to comprehend and control molecular-level biological processes. We prioritize studies unveiling significant conceptual or practical advancements in areas where chemistry and biology intersect, emphasizing basic research, especially those reporting novel chemical or biological tools and offering profound molecular-level insights into underlying biological mechanisms. Nature Chemical Biology also welcomes manuscripts describing applied molecular studies at the chemistry-biology interface due to the broad utility of chemical biology approaches in manipulating or engineering biological systems. Irrespective of scientific focus, we actively seek submissions that creatively blend chemistry and biology, particularly those providing substantial conceptual or methodological breakthroughs with the potential to open innovative research avenues. The journal maintains a robust and impartial review process, emphasizing thorough chemical and biological characterization.