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Related papers: Artificial Intelligence for Drug Discovery: Are We…

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Artificial Intelligence (AI) provides many opportunities to improve private and public life. Discovering patterns and structures in large troves of data in an automated manner is a core component of data science, and currently drives…

Artificial Intelligence · Computer Science 2019-10-11 Vaishak Belle

Artificial intelligence and machine learning are reshaping how we approach scientific discovery, not by replacing established methods but by extending what researchers can probe, predict, and design. In this roadmap we provide a…

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) 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,…

Machine Learning · Computer Science 2025-04-04 Joshua Hatherley

Drug discovery is a long, expensive, and complex process, relying heavily on human medicinal chemists, who can spend years searching the vast space of potential therapies. Recent advances in artificial intelligence for chemistry have sought…

Computation and Language · Computer Science 2025-10-14 Reza Averly , Frazier N. Baker , Ian A. Watson , Xia Ning

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.…

Drug discovery is a complex process that involves sequentially screening and examining a vast array of molecules to identify those with the target properties. This process, also referred to as sequential experimentation, faces challenges…

Artificial Intelligence · Computer Science 2024-05-08 Jinghai He , Cheng Hua , Yingfei Wang , Zeyu Zheng

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

In modern dynamic constantly developing society, more and more people suffer from chronic and serious diseases and doctors and patients need special and sophisticated medical and health support. Accordingly, prominent health stakeholders…

Computers and Society · Computer Science 2022-08-10 Mirjana Ivanovic , Serge Autexier , Miltiadis Kokkonidis

Data-driven artificial intelligence models fed with published scientific findings have been used to create powerful prediction engines for scientific and technological advance, such as the discovery of novel materials with desired…

Artificial Intelligence · Computer Science 2021-04-13 Jamshid Sourati , James Evans

Advances in artificial intelligence (AI) have great potential to help address societal challenges that are both collective in nature and present at national or trans-national scale. Pressing challenges in healthcare, finance, infrastructure…

Artificial Intelligence (AI) is poised to transform healthcare delivery through revolutionary advances in clinical decision support and diagnostic capabilities. While human expertise remains foundational to medical practice, AI-powered…

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…

Artificial Intelligence · Computer Science 2026-05-21 Khalid Adnan Alsayed

Artificial Intelligence (AI) is a broad field that is upturning mental health care in many ways, from addressing anxiety, depression, and stress to increasing access, personalization of treatment, and real-time monitoring that enhances…

Computers and Society · Computer Science 2025-01-22 Hari Mohan Pandey

The growing worldwide incidence of diabetes requires more effective approaches for managing blood glucose levels. Insulin delivery systems have advanced significantly, with artificial intelligence (AI) playing a key role in improving their…

Artificial Intelligence · Computer Science 2025-03-25 Maria Panagiotou , Knut Stroemmen , Lorenzo Brigato , Bastiaan E. de Galan , Stavroula Mougiakakou

Artificial intelligence (AI) has been increasingly applied in scientific activities for decades; however, it is still far from an insightful and trustworthy collaborator in the scientific process. Most existing AI methods are either too…

Artificial Intelligence · Computer Science 2022-02-08 Morad Behandish , John Maxwell , Johan de Kleer

Recent advances in artificial intelligence (AI) and machine learning have created a general perception that AI could be used to solve complex problems, and in some situations over-hyped as a tool that can be so easily used. Unfortunately,…

Artificial Intelligence · Computer Science 2018-04-27 Jinyang Gao , Wei Wang , Meihui Zhang , Gang Chen , H. V. Jagadish , Guoliang Li , Teck Khim Ng , Beng Chin Ooi , Sheng Wang , Jingren Zhou

The integration of artificial intelligence (AI) in early-stage drug discovery offers unprecedented opportunities for exploring chemical space and accelerating hit-to-lead optimization. However, docking optimization in generative approaches…

Quantitative Methods · Quantitative Biology 2025-10-03 Ekaterina Podplutova , Anastasia Vepreva , Olga A. Konovalova , Vladimir Vinogradov , Dmitrii O. Shkil , Andrei Dmitrenko

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

With the development of computer-assisted techniques, research communities including biochemistry and deep learning have been devoted into the drug discovery field for over a decade. Various applications of deep learning have drawn great…

Machine Learning · Computer Science 2023-03-07 Wenhao Hu , Yingying Liu , Xuanyu Chen , Wenhao Chai , Hangyue Chen , Hongwei Wang , Gaoang Wang