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The US Food and Drug Administration (FDA) has been actively promoting the use of real-world data (RWD) in drug development. RWD can generate important real-world evidence reflecting the real-world clinical environment where the treatments…

Computers and Society · Computer Science 2021-02-03 Zhaoyi Chen , Xiong Liu , William Hogan , Elizabeth Shenkman , Jiang Bian

In the pursuit of realizing artificial general intelligence (AGI), the importance of embodied artificial intelligence (AI) becomes increasingly apparent. Following this trend, research integrating robots with AGI has become prominent. As…

Robotics · Computer Science 2025-03-27 Zhe Sun , Pengfei Tian , Xiaozhu Hu , Xiaoyu Zhao , Huiying Li , Zhenliang Zhang

This manifesto represents a collaborative vision forged by leaders in pharmaceuticals, consulting firms, clinical research, and AI. It outlines a roadmap for two AI technologies - causal inference and digital twins - to transform clinical…

Drug discovery is fundamentally a process of inferring the effects of treatments on patients, and would therefore benefit immensely from computational models that can reliably simulate patient responses, enabling researchers to generate and…

The convergence of artificial intelligence (AI) and synthetic biology is rapidly accelerating the pace of biological discovery and engineering. AI techniques, such as large language models and biological design tools, are enabling the…

Other Quantitative Biology · Quantitative Biology 2024-05-01 Cindy Vindman , Benjamin Trump , Christopher Cummings , Madison Smith , Alexander J. Titus , Ken Oye , Valentina Prado , Eyup Turmus , Igor Linkov

Artificial intelligence (AI) will pave the way to a new era in medicine. However, currently available AI systems do not interact with a patient, e.g., for anamnesis, and thus are only used by the physicians for predictions in diagnosis or…

Computers and Society · Computer Science 2019-08-29 Sebastian Spänig , Agnes Emberger-Klein , Jan-Peter Sowa , Ali Canbay , Klaus Menrad , Dominik Heider

Artificial Intelligence (AI) has apparently become one of the most important techniques discovered by humans in history while the human brain is widely recognized as one of the most complex systems in the universe. One fundamental critical…

The biopharmaceutical industry is increasingly developing digital twins to digitalize and automate the manufacturing process in response to the growing market demands. However, this shift presents significant challenges for human operators,…

Human-Computer Interaction · Computer Science 2025-04-02 Mohammed Aatif Shahab , Francesco Destro , Richard D. Braatz

Artificial intelligence (AI) has been successfully applied in numerous scientific domains. In biomedicine, AI has already shown tremendous potential, e.g. in the interpretation of next-generation sequencing data and in the design of…

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

Quantum computing, with its superior computational capabilities compared to classical approaches, holds the potential to revolutionize numerous scientific domains, including pharmaceuticals. However, the application of quantum computing for…

Drug discovery is the most expensive, time demanding and challenging project in biopharmaceutical companies which aims at the identification and optimization of lead compounds from large-sized chemical libraries. The lead compounds should…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-12-02 Natarajan Arul Murugan , Artur Podobas , Davide Gadioli , Emanuele Vitali , Gianluca Palermo , Stefano Markidis

Autonomous scientific research, capable of independently conducting complex experiments and serving non-specialists, represents a long-held aspiration. Achieving it requires a fundamental paradigm shift driven by artificial intelligence…

Artificial Intelligence · Computer Science 2025-07-04 Mingyu Wu , Zhaoguo Wang , Jiabin Wang , Zhiyuan Dong , Jingkai Yang , Qingting Li , Tianyu Huang , Lei Zhao , Mingqiang Li , Fei Wang , Chunhai Fan , Haibo Chen

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 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 · Computer Science 2025-07-08 Junwei Su , Cheng Xin , Ao Shang , Shan Wu , Zhenzhen Xie , Ruogu Xiong , Xiaoyu Xu , Cheng Zhang , Guang Chen , Yau-Tuen Chan , Guoyi Tang , Ning Wang , Yong Xu , Yibin Feng

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…

As data-driven modeling of physical dynamical systems becomes more prevalent, a new challenge is emerging: making these models more compatible and aligned with existing human knowledge. AI-driven scientific modeling processes typically…

Machine Learning · Computer Science 2024-10-11 Kevin Zhang , Hod Lipson

Human digital twins (HDTs) are dynamic, data-driven virtual representations of individuals, continuously updated with multimodal data to simulate, monitor, and predict health trajectories. By integrating clinical, physiological, behavioral,…

Human-Computer Interaction · Computer Science 2025-08-19 Rong Pan , Hongyue Sun , Xiaoyu Chen , Giulia Pedrielli , Jiapeng Huang

Drug discovery aims at designing novel molecules with specific desired properties for clinical trials. Over past decades, drug discovery and development have been a costly and time consuming process. Driven by big chemical data and AI, deep…

Machine Learning · Computer Science 2020-07-22 Karan Yang , Chengxi Zang , Fei Wang