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相关论文: Survey on Recent Progress of AI for Chemistry: Met…

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Artificial intelligence (AI) has been transforming the practice of drug discovery in the past decade. Various AI techniques have been used in a wide range of applications, such as virtual screening and drug design. In this survey, we first…

机器学习 · 计算机科学 2021-11-03 Jianyuan Deng , Zhibo Yang , Iwao Ojima , Dimitris Samaras , Fusheng Wang

Artificial Intelligence (AI), especially AI agents, is increasingly being applied to chemistry, healthcare, and manufacturing to enhance productivity. In this review, we discuss the progress of AI and agentic AI in areas related to, and…

Organic chemistry is undergoing a major paradigm shift, moving from a labor-intensive approach to a new era dominated by automation and artificial intelligence (AI). This transformative shift is being driven by technological advances, the…

人工智能 · 计算机科学 2023-12-05 Chengchun Liu , Yuntian Chen , Fanyang Mo

The recent surge in Generative Artificial Intelligence (AI) has introduced exciting possibilities for computational chemistry. Generative AI methods have made significant progress in sampling molecular structures across chemical species,…

统计力学 · 物理学 2024-09-06 Pratyush Tiwary , Lukas Herron , Richard John , Suemin Lee , Disha Sanwal , Ruiyu Wang

Artificial Intelligence (AI) approaches are increasingly being applied to more and more domains of Science, Engineering, Chemistry, and Industries to not only improve efficiencies and enhance productivity, but also enable new capabilities.…

The development of automated experimental facilities and the digitization of experimental data have introduced numerous opportunities to radically advance chemical laboratories. As many laboratory tasks involve predicting and understanding…

Chemistry, a long-standing discipline, has historically relied on manual and often time-consuming processes. While some automation exists, the field is now on the cusp of a significant evolution driven by the integration of robotics and…

机器人学 · 计算机科学 2025-10-14 Jihong Zhu , Kefeng Huang , Jonathon Pipe , Chris Horbaczewsky , Andy Tyrrell , Ian J. S. Fairlamb

The rapid expansion of records creates significant challenges in management, including retention and disposition, appraisal, and organization. Our study underscores the benefits of integrating artificial intelligence (AI) within the broad…

数字图书馆 · 计算机科学 2024-10-15 Gaurav Shinde , Tiana Kirstein , Souvick Ghosh , Patricia C. Franks

Retrosynthesis is the cornerstone of organic chemistry, providing chemists in material and drug manufacturing access to poorly available and brand-new molecules. Conventional rule-based or expert-based computer-aided synthesis has obvious…

机器学习 · 计算机科学 2023-01-18 Zipeng Zhong , Jie Song , Zunlei Feng , Tiantao Liu , Lingxiang Jia , Shaolun Yao , Tingjun Hou , Mingli Song

Artificial intelligence (AI) raises expectations of substantial increases in rates of technological and scientific progress, but such anticipations are often not connected to detailed ground-level studies of AI use in innovation processes.…

计算机与社会 · 计算机科学 2025-11-21 John P. Nelson , Olajide Olugbade , Philip Shapira , Justin B. Biddle

The integration of Agentic AI into scientific discovery marks a new frontier in research automation. These AI systems, capable of reasoning, planning, and autonomous decision-making, are transforming how scientists perform literature…

计算与语言 · 计算机科学 2025-03-13 Mourad Gridach , Jay Nanavati , Khaldoun Zine El Abidine , Lenon Mendes , Christina Mack

This paper reviews the current development of artificial intelligence (AI) techniques for the application area of robot communication. The study of the control and operation of multiple robots collaboratively toward a common goal is fast…

信号处理 · 电气工程与系统科学 2018-05-01 S. H. Alsamhi , Ou Ma , M. S. Ansari

Artificial intelligence (AI) has the potential to revolutionize the drug discovery process, offering improved efficiency, accuracy, and speed. However, the successful application of AI is dependent on the availability of high-quality data,…

Natural language processing models have emerged that can generate usable software and automate a number of programming tasks with high fidelity. These tools have yet to have an impact on the chemistry community. Yet, our initial testing…

统计力学 · 物理学 2023-01-11 Glen M. Hocky , Andrew D. White

Artificial Intelligence is rapidly transforming materials science and engineering, offering powerful tools to navigate complexity, accelerate discovery, and optimize material design in ways previously unattainable. Driven by the…

Recent applications of machine learning and statistical inference provide case studies demonstrating how such approaches can accelerate the discovery process in physical chemistry and related fields. Examples discussed in this review…

化学物理 · 物理学 2017-06-20 Ryan B. Jadrich , Beth A. Lindquist , Thomas M. Truskett

Artificial Intelligence (AI) has the opportunity to revolutionize the way the United States Department of Defense (DoD) and Intelligence Community (IC) address the challenges of evolving threats, data deluge, and rapid courses of action.…

The ongoing artificial intelligence (AI) revolution has the potential to change almost every line of work. As AI capabilities continue to improve in accuracy, robustness, and reach, AI may outperform and even replace human experts across…

数字图书馆 · 计算机科学 2024-06-04 Jian Gao , Dashun Wang

Artificial Intelligence (AI) is a fast-growing research and development (R&D) discipline which is attracting increasing attention because of its promises to bring vast benefits for consumers and businesses, with considerable benefits…

人工智能 · 计算机科学 2022-05-10 Zhenghua Chen , Min Wu , Alvin Chan , Xiaoli Li , Yew-Soon Ong

In recent years, artificial intelligence (AI) has made significant progress in the field of music generation, driving innovation in music creation and applications. This paper provides a systematic review of the latest research advancements…

声音 · 计算机科学 2024-09-06 Yanxu Chen , Linshu Huang , Tian Gou
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