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Related papers: Artificial Intelligence in Drug Discovery: Applica…

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Artificial intelligence (AI)-driven methods can vastly improve the historically costly drug design process, with various generative models already in widespread use. Generative models for de novo drug design, in particular, focus on the…

Biomolecules · Quantitative Biology 2024-06-27 Xiangru Tang , Howard Dai , Elizabeth Knight , Fang Wu , Yunyang Li , Tianxiao Li , Mark Gerstein

Drug development is an expensive and time-consuming process where thousands of chemical compounds are being tested in order to find those possessing drug-like properties while being safe and effective. One of key parts of the early drug…

Quantitative Methods · Quantitative Biology 2022-02-15 Josip Mesarić

Self-driving labs are transforming drug discovery by enabling automated, AI-guided experimentation, but they face challenges in orchestrating complex workflows, integrating diverse instruments and AI models, and managing data efficiently.…

Software Engineering · Computer Science 2025-04-02 Yao Fehlis , Paul Mandel , Charles Crain , Betty Liu , David Fuller

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…

Computation and Language · Computer Science 2025-03-13 Mourad Gridach , Jay Nanavati , Khaldoun Zine El Abidine , Lenon Mendes , Christina Mack

Artificial intelligence (AI) has sparked immense interest in drug discovery, but most current approaches only digitize existing high-throughput experiments. They remain constrained by conventional pipelines. As a result, they do not address…

Computers and Society · Computer Science 2025-07-29 You Wu , Philip E. Bourne , Lei Xie

Scientific discovery is a complex cognitive process that has driven human knowledge and technological progress for centuries. While artificial intelligence (AI) has made significant advances in automating aspects of scientific reasoning,…

Machine Learning · Computer Science 2024-12-24 Chandan K Reddy , Parshin Shojaee

Artificial Intelligence (AI) technology is based on theory and development of computer systems able to perform tasks that normally require human intelligence. In this context, deep learning is a family of computational methods that allow an…

Computers and Society · Computer Science 2019-05-17 Mario Coccia

Recent progress in Large Language Models (LLMs) has drawn attention to their potential for accelerating drug discovery. However, a central problem remains: translating theoretical ideas into robust implementations in the highly specialized…

Machine Learning · Computer Science 2025-03-06 Sizhe Liu , Yizhou Lu , Siyu Chen , Xiyang Hu , Jieyu Zhao , Yingzhou Lu , Yue Zhao

AI technology has a long history which is actively and constantly changing and growing. It focuses on intelligent agents, which contain devices that perceive the environment and based on which takes actions in order to maximize goal success…

Artificial Intelligence · Computer Science 2018-04-05 Jahanzaib Shabbir , Tarique Anwer

Multi-year digital forensic backlogs have become commonplace in law enforcement agencies throughout the globe. Digital forensic investigators are overloaded with the volume of cases requiring their expertise compounded by the volume of data…

Cryptography and Security · Computer Science 2020-12-04 Xiaoyu Du , Chris Hargreaves , John Sheppard , Felix Anda , Asanka Sayakkara , Nhien-An Le-Khac , Mark Scanlon

The idea of Artificial Intelligence (AI) has a long history. It turned out, however, that reaching intelligence at human levels is more complicated than originally anticipated. Currently we are experiencing a renewed interest in AI, fueled…

Computers and Society · Computer Science 2019-06-27 Michael van Hartskamp , Sergio Consoli , Wim Verhaegh , Milan Petković , Anja van de Stolpe

This document offers a critical overview of the emerging trends and significant advancements in artificial intelligence (AI) within the pharmaceutical industry. Detailing its application across key operational areas, including research and…

Computers and Society · Computer Science 2024-01-23 Yu Han , Jingwen Tao

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.…

Novel diagnostic and therapeutic radiopharmaceuticals are increasingly becoming a central part of personalized medicine. Continued innovation in the development of new radiopharmaceuticals is key to sustained growth and advancement of…

Biomolecules · Quantitative Biology 2021-08-06 Bahar Ataeinia , Pedram Heidari

In this paper, we review recent developments and the role of Graph Neural Networks (GNNs) in computational drug discovery, including molecule generation, molecular property prediction, and drug-drug interaction prediction. By summarizing…

Machine Learning · Computer Science 2025-06-03 Zhengyu Fang , Xiaoge Zhang , Anyin Zhao , Xiao Li , Huiyuan Chen , Jing Li

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…

Applications · Statistics 2026-05-25 Aaron M. Smith , Tala Fakhouri , Run Zhuang , Jonathan R. Walsh

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…

Sound · Computer Science 2024-09-06 Yanxu Chen , Linshu Huang , Tian Gou

This paper studies the impact of artificial intelligence on innovation, exploiting the randomized introduction of a new materials discovery technology to 1,018 scientists in the R&D lab of a large U.S. firm. AI-assisted researchers discover…

General Economics · Economics 2025-05-21 Aidan Toner-Rodgers

Drug discovery is lengthy and expensive, with traditional computer-aided design facing limits. This paper examines integrating quantum computing across the drug development cycle to accelerate and enhance workflows and rigorous…

Artificial Intelligence (AI) is revolutionizing emergency medicine by enhancing diagnostic processes and improving patient outcomes. This article provides a review of the current applications of AI in emergency imaging studies, focusing on…

Image and Video Processing · Electrical Eng. & Systems 2025-03-20 Gustavo Correia , Victor Alves , Paulo Novais