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Machine learning (ML), deep learning (DL), and artificial intelligence (AI) are of increasing importance in biomedicine. The goal of this work is to show progress in ML in digital health, to exemplify future needs and trends, and to…

Artificial Intelligence · Computer Science 2019-11-19 Fabian V. Filipp

In the past, the development of vaccines and immunotherapeutics relied heavily on trial-and-error experimentation and extensive in vivo testing, often requiring years of pre-clinical and clinical trials. Today, artificial intelligence (AI)…

Artificial Intelligence · Computer Science 2025-06-17 Elhoucine Elfatimi , Yassir Lekbach , Swayam Prakash , Lbachir BenMohamed

Hardly any other area of research has recently attracted as much attention as machine learning (ML) through the rapid advances in artificial intelligence (AI). This publication provides a short introduction to practical concepts and methods…

General Economics · Economics 2020-12-17 Ali R. Baghirzade

Artificial Intelligence (AI) and infectious diseases prediction have recently experienced a common development and advancement. Machine learning (ML) apparition, along with deep learning (DL) emergence, extended many approaches against…

Machine Learning · Computer Science 2025-01-29 Selestine Melchane , Youssef Elmir , Farid Kacimi , Larbi Boubchir

The rapid advancement of machine learning and artificial intelligence (AI)-driven techniques is revolutionizing materials discovery, property prediction, and material design by minimizing human intervention and accelerating scientific…

Materials Science · Physics 2026-01-06 Dilshod Nematov , Mirabbos Hojamberdiev

Machine learning (ML) is revolutionising drug discovery by expediting the prediction of small molecule properties essential for developing new drugs. These properties -- including absorption, distribution, metabolism and excretion (ADME)--…

Machine Learning · Computer Science 2024-08-02 Alex G. C. de Sá , David B. Ascher

Deep learning bears promise for drug discovery, including advanced image analysis, prediction of molecular structure and function, and automated generation of innovative chemical entities with bespoke properties. Despite the growing number…

Artificial Intelligence · Computer Science 2020-07-03 José Jiménez-Luna , Francesca Grisoni , Gisbert Schneider

Artificial Intelligence (AI) and Machine Learning (ML) are weaving their way into the fabric of society, where they are playing a crucial role in numerous facets of our lives. As we witness the increased deployment of AI and ML in various…

Emerging Technologies · Computer Science 2022-12-23 Sasitharan Balasubramaniam , Samitha Somathilaka , Sehee Sun , Adrian Ratwatte , Massimiliano Pierobon

Research around AI for Science has seen significant success since the rise of deep learning models over the past decade, even with longstanding challenges such as protein structure prediction. However, this fast development inevitably made…

Artificial Intelligence · Computer Science 2022-12-27 Kieran Didi , Matej Zečević

Antibiotic resistance presents a growing global health crisis, demanding new therapeutic strategies that target novel bacterial mechanisms. Recent advances in protein structure prediction and machine learning-driven molecule generation…

Biomolecules · Quantitative Biology 2025-05-22 Maximilian G. Schuh , Joshua Hesse , Stephan A. Sieber

While machine learning (ML) has made significant contributions to the biopharmaceutical field, its applications are still in the early stages in terms of providing direct support for quality-by-design based development and manufacturing of…

Machine Learning · Computer Science 2023-10-17 Thanh Tung Khuat , Robert Bassett , Ellen Otte , Alistair Grevis-James , Bogdan Gabrys

In the paced realms of cybersecurity and digital forensics machine learning (ML) and deep learning (DL) have emerged as game changing technologies that introduce methods to identify stop and analyze cyber risks. This review presents an…

Cryptography and Security · Computer Science 2025-01-08 Jaouhar Fattahi

The integration of Artificial Intelligence (AI) into the field of drug discovery has been a growing area of interdisciplinary scientific research. However, conventional AI models are heavily limited in handling complex biomedical structures…

Machine Learning · Computer Science 2024-07-25 Zhiqiang Zhong , Anastasia Barkova , Davide Mottin

Antimicrobial-resistant (AMR) microbes are a growing challenge in healthcare, rendering modern medicines ineffective. AMR arises from antibiotic production and bacterial evolution, but quantifying its transmission remains difficult. With…

Machine Learning · Computer Science 2025-02-04 Qian Fu , Yuzhe Zhang , Yanfeng Shu , Ming Ding , Lina Yao , Chen Wang

Antimicrobial peptides (AMPs) emerge as promising agents against antimicrobial resistance, providing an alternative to conventional antibiotics. Artificial intelligence (AI) revolutionized AMP discovery through both discrimination and…

Biomolecules · Quantitative Biology 2023-08-23 Paulina Szymczak , Ewa Szczurek

Artificial intelligence (AI) in the form of deep learning bears promise for drug discovery and chemical biology, $\textit{e.g.}$, to predict protein structure and molecular bioactivity, plan organic synthesis, and design molecules…

Biomolecules · Quantitative Biology 2022-12-29 Rıza Özçelik , Derek van Tilborg , José Jiménez-Luna , Francesca Grisoni

Machine learning (ML) is becoming increasingly crucial in many fields of engineering but has not yet played out its full potential in bioprocess engineering. While experimentation has been accelerated by increasing levels of lab automation,…

Artificial intelligence (AI) raises expectations of substantial increases in rates of technological and scientific progress, but such anticipations are often not connected to detailed ground-level studies of AI use in innovation processes.…

Computers and Society · Computer Science 2025-11-21 John P. Nelson , Olajide Olugbade , Philip Shapira , Justin B. Biddle

Artificial intelligence (AI) is transforming the practice of science. Machine learning and large language models (LLMs) can generate hypotheses at a scale and speed far exceeding traditional methods, offering the potential to accelerate…

Artificial Intelligence · Computer Science 2025-12-18 Cristina Cornelio , Takuya Ito , Ryan Cory-Wright , Sanjeeb Dash , Lior Horesh

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