English
Related papers

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

200 papers

Purpose of review: Artificial intelligence (AI) has become popular in medical applications, specifically as a clinical support tool for computer-aided diagnosis. These tools are typically employed on medical data (i.e., image, molecular…

Machine Learning · Computer Science 2022-06-08 Ahmad Chaddad , Yousef Katib , Lama Hassan

Clinical trials are pivotal for developing new medical treatments but typically carry risks such as patient mortality and enrollment failure that waste immense efforts spanning over a decade. Applying artificial intelligence (AI) to predict…

AI is a magnificent field that directly and profoundly touches on numerous disciplines ranging from philosophy, computer science, engineering, mathematics, decision and data science and economics, to cognitive science, neuroscience and…

Computers and Society · Computer Science 2024-10-16 Simon Kasif

Artificial Intelligence (AI) can potentially transform the industry, enhancing the production process and minimizing manual, repetitive tasks. Accordingly, the synergy between high-performance computing and powerful mathematical models…

Artificial Intelligence · Computer Science 2024-06-21 Silvia García-Méndez , Francisco de Arriba-Pérez , María del Carmen Somoza-López

Significant investments to upgrade and construct large-scale scientific facilities demand commensurate investments in R&D to design algorithms and computing approaches to enable scientific and engineering breakthroughs in the big data era.…

Recent developments in Artificial Intelligence (AI) have fueled the emergence of human-AI collaboration, a setting where AI is a coequal partner. Especially in clinical decision-making, it has the potential to improve treatment quality by…

Human-Computer Interaction · Computer Science 2022-04-21 Patrick Hemmer , Max Schemmer , Lara Riefle , Nico Rosellen , Michael Vössing , Niklas Kühl

Drug overdose deaths, including those due to prescription opioids, represent a critical public health issue in the United States and worldwide. Artificial intelligence (AI) approaches have been developed and deployed to help prescribers…

Human-Computer Interaction · Computer Science 2025-02-18 Venkatesh Sivaraman , Yejun Kwak , Courtney Kuza , Qingnan Yang , Kayleigh Adamson , Katie Suda , Lu Tang , Walid Gellad , Adam Perer

The recent successes of AI have captured the wildest imagination of both the scientific communities and the general public. Robotics and AI amplify human potentials, increase productivity and are moving from simple reasoning towards…

Artificial Intelligence · Computer Science 2020-08-07 Javier Andreu-Perez , Fani Deligianni , Daniele Ravi , Guang-Zhong Yang

Despite the significant advances in life science, it still takes decades to translate a basic drug discovery into a cure for human disease. To accelerate the process from bench to bedside, interdisciplinary research (especially research…

Other Quantitative Biology · Quantitative Biology 2021-09-08 Xin Li , Xuli Tang

With the advances in information technology (IT) criminals are using cyberspace to commit numerous cyber crimes. Cyber infrastructures are highly vulnerable to intrusions and other threats. Physical devices and human intervention are not…

Artificial Intelligence · Computer Science 2015-02-13 Selma Dilek , Hüseyin Çakır , Mustafa Aydın

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,…

Statistical Mechanics · Physics 2024-09-06 Pratyush Tiwary , Lukas Herron , Richard John , Suemin Lee , Disha Sanwal , Ruiyu Wang

Current pharmaceutical formulation development still strongly relies on the traditional trial-and-error approach by individual experiences of pharmaceutical scientists, which is laborious, time-consuming and costly. Recently, deep learning…

Machine Learning · Computer Science 2018-12-05 Yilong Yang , Zhuyifan Ye , Yan Su , Qianqian Zhao , Xiaoshan Li , Defang Ouyang

The potential of AI researchers in scientific discovery remains largely untapped. Over the past decade, AI for Science (AI4Science) publications in 145 Nature Index journals have increased fifteen-fold, yet they still account for less than…

Computers and Society · Computer Science 2025-09-24 Hengjie Yu , Shuya Liu , Haiyun Yang , Yuping Yan , Maozhen Qu , Yaochu Jin

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…

Machine Learning · Computer Science 2023-01-18 Zipeng Zhong , Jie Song , Zunlei Feng , Tiantao Liu , Lingxiang Jia , Shaolun Yao , Tingjun Hou , Mingli Song

Artificial intelligence (AI) is reshaping scientific discovery, evolving from specialized computational tools into autonomous research partners. We position Agentic Science as a pivotal stage within the broader AI for Science paradigm,…

Artificial intelligence (AI) has rapidly transformed various sectors, including healthcare, where it holds the potential to revolutionize clinical practice and improve patient outcomes. However, its integration into medical settings brings…

Computers and Society · Computer Science 2024-12-06 Ellison B. Weiner , Irene Dankwa-Mullan , William A. Nelson , Saeed Hassanpour

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…

Computers and Society · Computer Science 2025-05-13 Robert Sparrow , Joshua Hatherley

Developing artificial intelligence (AI) tools for healthcare is a collaborative effort, bringing data scientists, clinicians, patients and other disciplines together. In this paper, we explore the collaborative data practices of research…

Human-Computer Interaction · Computer Science 2024-01-17 Rafael Henkin , Elizabeth Remfry , Duncan J. Reynolds , Megan Clinch , Michael R. Barnes

The appearance of a new dangerous and contagious disease requires the development of a drug therapy faster than what is foreseen by usual mechanisms. Many drug therapy developments consist in investigating through different clinical trials…

Quantitative Methods · Quantitative Biology 2020-03-31 Ezequiel Alvarez , Federico Lamagna , Manuel Szewc