Real-world validation of a structure-aware pipeline for molecular design

IF 23.9 1区计算机科学 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE

Nature Machine Intelligence Pub Date : 2025-09-08 DOI:10.1038/s42256-025-01102-x

Ana Laura Dias, Tiago Rodrigues

引用次数: 0

Abstract

The next major challenge for artificial intelligence in drug development lies in proving its value in real-world settings. A new technology not only supports the generation of novel chemical entities but also accelerates a range of real-world molecular design tasks.

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分子设计的结构感知管道的实际验证

人工智能在药物开发中的下一个主要挑战在于证明其在现实世界中的价值。一项新技术不仅支持新的化学实体的产生，而且还加速了一系列现实世界的分子设计任务。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Nature Machine Intelligence Multiple-

CiteScore

36.90

自引率

2.10%

发文量

127

期刊介绍： Nature Machine Intelligence is a distinguished publication that presents original research and reviews on various topics in machine learning, robotics, and AI. Our focus extends beyond these fields, exploring their profound impact on other scientific disciplines, as well as societal and industrial aspects. We recognize limitless possibilities wherein machine intelligence can augment human capabilities and knowledge in domains like scientific exploration, healthcare, medical diagnostics, and the creation of safe and sustainable cities, transportation, and agriculture. Simultaneously, we acknowledge the emergence of ethical, social, and legal concerns due to the rapid pace of advancements. To foster interdisciplinary discussions on these far-reaching implications, Nature Machine Intelligence serves as a platform for dialogue facilitated through Comments, News Features, News & Views articles, and Correspondence. Our goal is to encourage a comprehensive examination of these subjects. Similar to all Nature-branded journals, Nature Machine Intelligence operates under the guidance of a team of skilled editors. We adhere to a fair and rigorous peer-review process, ensuring high standards of copy-editing and production, swift publication, and editorial independence.