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Much of the recent success of Artificial Intelligence (AI) has been spurred on by impressive achievements within a broader family of machine learning methods, commonly referred to as Deep Learning (DL). This paper provides insights on the…

Computers and Society · Computer Science 2020-09-07 Stefano Bianchini , Moritz Müller , Pierre Pelletier

Purpose: The introduction of artificial intelligence / machine learning (AI/ML) products to the regulated fields of pharmaceutical research and development (R&D) and drug manufacture, and medical devices (MD) and in-vitro diagnostics (IVD),…

Computers and Society · Computer Science 2023-06-21 David Higgins , Christian Johner

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

Drug development is a very costly and lengthy process, while repositioned or repurposed drugs could be brought into clinical practice within a shorter time-frame and at a much reduced cost. The past decade has observed a massive growth in…

Genomics · Quantitative Biology 2019-11-14 Alexandria Lau , Hon-Cheong So

The rising prevalence of type 2 diabetes mellitus (T2DM) necessitates the development of predictive models for T2DM risk assessment. Artificial intelligence (AI) models are being extensively used for this purpose, but a comprehensive review…

Machine Learning · Computer Science 2023-05-29 Farida Mohsen , Hamada R. H. Al-Absi , Noha A. Yousri , Nady El Hajj , Zubair Shah

Complex or co-existing diseases are commonly treated using drug combinations, which can lead to higher risk of adverse side effects. The detection of polypharmacy side effects is usually done in Phase IV clinical trials, but there are still…

Machine Learning · Statistics 2019-05-03 Andreea Deac , Yu-Hsiang Huang , Petar Veličković , Pietro Liò , Jian Tang

Domain-aware machine learning (ML) models have been increasingly adopted for accelerating small molecule therapeutic design in the recent years. These models have been enabled by significant advancement in state-of-the-art artificial…

Machine Learning · Computer Science 2021-02-12 Rajendra P. Joshi , Neeraj Kumar

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) 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

Reinforcement learning (RL) algorithms have been around for decades and employed to solve various sequential decision-making problems. These algorithms however have faced great challenges when dealing with high-dimensional environments. The…

Machine Learning · Computer Science 2020-04-01 Thanh Thi Nguyen , Ngoc Duy Nguyen , Saeid Nahavandi

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

Over the past 40 years, the discovery and development of therapeutic antibodies to treat disease has become common practice. However, as therapeutic antibody constructs are becoming more sophisticated (e.g., multi-specifics), conventional…

Biomolecules · Quantitative Biology 2023-12-19 Leonard Wossnig , Norbert Furtmann , Andrew Buchanan , Sandeep Kumar , Victor Greiff

The last decade has witnessed a prosperous development of computational methods and dataset curation for AI-aided drug discovery (AIDD). However, real-world pharmaceutical datasets often exhibit highly imbalanced distribution, which is…

Artificial intelligence (AI) in medical device software (MDSW) represents a transformative clinical technology, attracting increasing attention within both the medical community and the regulators. In this study, we leverage a data-driven…

Artificial Intelligence · Computer Science 2026-04-27 Yu Han , Aaron Ceross , Sarim Ather , Jeroen H. M. Bergmann

The idea of Artificial Intelligence (AI) has a long history. It turned out, however, that reaching intelligence at human levels is more complicated than originally anticipated. Currently we are experiencing a renewed interest in AI, fueled…

Computers and Society · Computer Science 2019-06-27 Michael van Hartskamp , Sergio Consoli , Wim Verhaegh , Milan Petković , Anja van de Stolpe

In recent years, a specific machine learning method called deep learning has gained huge attraction, as it has obtained astonishing results in broad applications such as pattern recognition, speech recognition, computer vision, and natural…

Machine Learning · Computer Science 2018-06-26 Seyed Sajad Mousavi , Michael Schukat , Enda Howley

The 21st Century Cures Act of 2016 includes a provision for the U.S. Food and Drug Administration (FDA) to evaluate the potential use of real-world evidence (RWE) to support new indications for use for previously approved drugs, and to…

Applications · Statistics 2022-06-15 Susan Gruber , Rachael V. Phillips , Hana Lee , Martin Ho , John Concato , Mark J. van der Laan

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

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

To generate drug molecules of desired properties with computational methods is the holy grail in pharmaceutical research. Here we describe an AI strategy, retro drug design, or RDD, to generate novel small molecule drugs from scratch to…

Biomolecules · Quantitative Biology 2021-05-12 Yuhong Wang , Sam Michael , Ruili Huang , Jinghua Zhao , Katlin Recabo , Danielle Bougie , Qiang Shu , Paul Shinn , Hongmao Sun