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Related papers: Quantum-machine-assisted Drug Discovery

200 papers

This work emphasizes the assets of implementing the distributed computing for the intensive use in computational science devoted to the search of new medicines that could be applied in public healthy problems.

Quantitative Methods · Quantitative Biology 2010-12-15 Raul Isea , Rafael Mayo

Quantum computing systems depend on the principles of quantum mechanics to perform multiple challenging tasks more efficiently than their classical counterparts. In classical software engineering, the software life cycle is used to document…

Software Engineering · Computer Science 2023-07-24 Thong Hoang , Hoa Khanh Dam , Tingting Bi , Qinghua Lu , Zhenchang Xing , Liming Zhu , Lam Duc Nguyen , Shiping Chen

Introduction: Artificial intelligence (AI) is exhibiting tremendous potential to reduce the massive costs and long timescales of drug discovery. There are however important challenges currently limiting the impact and scope of AI models.…

Other Quantitative Biology · Quantitative Biology 2024-09-25 Ghita Ghislat , Saiveth Hernandez-Hernandez , Chayanit Piyawajanusorn , Pedro J. Ballester

Computational systems and methods are often being used in biological research, including the understanding of cancer and the development of treatments. Simulations of tumor growth and its response to different drugs are of particular…

Medicine, including fields in healthcare and life sciences, has seen a flurry of quantum-related activities and experiments in the last few years (although biology and quantum theory have arguably been entangled ever since Schr\"odinger's…

Quantum Physics · Physics 2023-08-24 Frederik F. Flöther

The goal of this paper is to deliver the overview of the current state of the art, to provide experience report on developing quantum software tools, and to outline the perspective for developing quantum programming tools supporting…

Quantum Physics · Physics 2023-09-14 Jarosław Adam Miszczak

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,…

Research in software engineering is essential for improving development practices, leading to reliable and secure software. Leveraging the principles of quantum physics, quantum computing has emerged as a new computational paradigm that…

Software Engineering · Computer Science 2025-02-14 Ashis Kumar Mandal , Md Nadim , Chanchal K. Roy , Banani Roy , Kevin A. Schneider

Quantum computers promise to surpass the most powerful classical supercomputers when it comes to solving many critically important practical problems, such as pharmaceutical and fertilizer design, supply chain and traffic optimization, or…

Computation · Statistics 2022-04-05 Anna Lopatnikova , Minh-Ngoc Tran , Scott A. Sisson

Pharmaceutical industry can better leverage its data assets to virtualize drug discovery through a collaborative machine learning platform. On the other hand, there are non-negligible risks stemming from the unintended leakage of…

Cryptography and Security · Computer Science 2022-06-10 Balazs Pejo , Mina Remeli , Adam Arany , Mathieu Galtier , Gergely Acs

We evaluate strategies for reducing the run time of fault-tolerant quantum computations, targeting practical utility in scientific or industrial workflows. Delivering a technology with broad impact requires scaling devices, while also…

The emergence of quantum computing has introduced a revolutionary paradigm capable of transforming numerous scientific and industrial sectors. Nevertheless, realizing the practical utilization of quantum software in real-world applications…

Quantum Physics · Physics 2024-03-29 Vlad Stirbu , Majid Haghparast , Muhammad Waseem , Niraj Dayama , Tommi Mikkonen

Artificial intelligence and machine learning paves the way to achieve greater technical feats. In this endeavor to hone these techniques, quantum machine learning is budding to serve as an important tool. Using the techniques of deep…

Quantum computers have been proposed to solve a number of important problems such as discovering new drugs, new catalysts for fertilizer production, breaking encryption protocols, optimizing financial portfolios, or implementing new…

Quantum Physics · Physics 2024-01-04 Xavier Waintal

This paper overviews the basic principles and recent advances in the emerging field of Quantum Computation (QC), highlighting its potential application to Artificial Intelligence (AI). The paper provides a very brief introduction to basic…

Artificial Intelligence · Computer Science 2007-05-24 Kyriakos N. Sgarbas

Quantum computing proposes a revolutionary paradigm that can radically transform numerous scientific and industrial application domains. To realize this promise, new capabilities need software solutions that are able to effectively harness…

Quantum Physics · Physics 2025-01-16 Otso Kinanen , Andrés D. Muñoz-Moller , Vlad Stirbu , Tommi Mikkonen

Demonstrating quantum advantage has been a pressing challenge in the field. Most claimed quantum speedups rely on a subroutine in which classical information can be accessed in a coherent quantum manner, which imposes a crucial constraint…

Quantum Physics · Physics 2025-11-04 Nhat A. Nghiem

Quantum Computing (QC) claims to improve the efficiency of solving complex problems, compared to classical computing. When QC is integrated with Machine Learning (ML), it creates a Quantum Machine Learning (QML) system. This paper aims to…

Quantum Physics · Physics 2025-06-11 Kamila Zaman , Alberto Marchisio , Muhammad Abdullah Hanif , Muhammad Shafique

Recent advancements in quantum computing (QC) and machine learning (ML) have fueled significant research efforts aimed at integrating these two transformative technologies. Quantum machine learning (QML), an emerging interdisciplinary…

Quantum Physics · Physics 2025-04-24 Samuel Yen-Chi Chen , Zhiding Liang

Quantum Computing is an exciting field that draws from information theory, computer science, mathematics, and quantum physics to process information in fundamentally new ways. There is an ongoing race to develop practical quantum computers…

Physics Education · Physics 2023-05-16 Tunde Kushimo , Beth Thacker