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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

Drug discovery is adapting to novel technologies such as data science, informatics, and artificial intelligence (AI) to accelerate effective treatment development while reducing costs and animal experiments. AI is transforming drug…

人工智能 · 计算机科学 2023-07-14 Catrin Hasselgren , Tudor I. Oprea

Drug addiction is a complex and pervasive global challenge that continues to pose significant public health concerns. Traditional approaches to anti-addiction drug discovery have struggled to deliver effective therapeutics, facing high…

生物大分子 · 定量生物学 2025-02-11 Dong Chen , Jian Jiang , Zhe Su , Guo-Wei Wei

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,…

This paper examines how pharmaceutical Artificial Intelligence advancements may affect the development of new drugs in the coming years. The question was answered by reviewing a rich body of source material, including industry literature,…

计算机与社会 · 计算机科学 2021-07-09 Adam Zielinski

Artificial intelligence has provided us with an exploration of a whole new research era. As more data and better computational power become available, the approach is being implemented in various fields. The demand for it in health…

机器学习 · 计算机科学 2020-08-11 Gloria Hyunjung Kwak , Pan Hui

This paper systematically reviews recent advances in artificial intelligence (AI), with a particular focus on machine learning (ML), across the entire drug discovery pipeline. Due to the inherent complexity, escalating costs, prolonged…

Artificial intelligence (AI) agents are emerging as transformative tools in drug discovery, with the ability to autonomously reason, act, and learn through complicated research workflows. Building on large language models (LLMs) coupled…

Artificial intelligence (AI) is rapidly advancing in healthcare, enhancing the efficiency and effectiveness of services across various specialties, including cardiology, ophthalmology, dermatology, emergency medicine, etc. AI applications…

Research around AI for Science has seen significant success since the rise of deep learning models over the past decade, even with longstanding challenges such as protein structure prediction. However, this fast development inevitably made…

人工智能 · 计算机科学 2022-12-27 Kieran Didi , Matej Zečević

The unparalleled success of artificial intelligence (AI) in the technology sector has catalyzed an enormous amount of research in the scientific community. It has proven to be a powerful tool, but as with any rapidly developing field, the…

机器学习 · 计算机科学 2022-10-07 M. R. Carbone

Applications of artificial intelligence (AI) in drug development continue to increase at a rapid pace. Regulatory authorities have provided increasingly clear perspectives on the use of AI in regulated applications, including recent draft…

应用统计 · 统计学 2026-05-25 Aaron M. Smith , Tala Fakhouri , Run Zhuang , Jonathan R. Walsh

Discovering new medicines is the hallmark of human endeavor to live a better and longer life. Yet the pace of discovery has slowed down as we need to venture into more wildly unexplored biomedical space to find one that matches today's high…

人工智能 · 计算机科学 2022-02-16 Tri Minh Nguyen , Thin Nguyen , Truyen Tran

Artificial intelligence (AI) models trained on published scientific findings have been used to invent valuable materials and targeted therapies, but they typically ignore the human scientists who continually alter the landscape of…

人工智能 · 计算机科学 2023-06-05 Jamshid Sourati , James Evans

Artificial intelligence (AI) is expected to revolutionize the practice of medicine. Recent advancements in the field of deep learning have demonstrated success in a variety of clinical tasks: detecting diabetic retinopathy from images,…

机器学习 · 计算机科学 2025-04-04 Joshua Hatherley

What does Artificial Intelligence (AI) have to contribute to health care? And what should we be looking out for if we are worried about its risks? In this paper we offer a survey, and initial evaluation, of hopes and fears about the…

计算机与社会 · 计算机科学 2025-05-13 Robert Sparrow , Joshua Hatherley

Artificial intelligence (AI) systems are increasingly integrated into healthcare and pharmacy workflows, supporting tasks such as medication recommendations, dosage determination, and drug interaction detection. While these systems often…

人工智能 · 计算机科学 2026-05-21 Khalid Adnan Alsayed

Artificial intelligence (AI) holds great promise for transforming healthcare. However, despite significant advances, the integration of AI solutions into real-world clinical practice remains limited. A major barrier is the quality and…

人工智能 · 计算机科学 2025-10-24 Anna Arias-Duart , Maria Eugenia Cardello , Atia Cortés

Recently, the research community of computerized medical imaging has started to discuss and address potential fairness issues that may emerge when developing and deploying AI systems for medical image analysis. This chapter covers some of…

计算机视觉与模式识别 · 计算机科学 2024-07-25 Enzo Ferrante , Rodrigo Echeveste

The capabilities of artificial intelligence systems have been advancing to a great extent, but these systems still struggle with failure modes, vulnerabilities, and biases. In this paper, we study the current state of the field, and present…

密码学与安全 · 计算机科学 2025-06-12 Xingli Fang , Jianwei Li , Varun Mulchandani , Jung-Eun Kim
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