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The COVID-19 crisis called for rapid reaction from all the fields of biomedical research. Traditional drug development involves time consuming pipelines that conflict with the urgence of identifying effective therapies during a health and…

Genomics · Quantitative Biology 2020-05-06 Francesco Napolitano , Gennaro Gambardella , Diego Carrella , Xin Gao , Diego di Bernardo

Background: Identifying new indications for approved drugs is a complex and time-consuming process that requires extensive knowledge of pharmacology, clinical data, and advanced computational methods. Recently, deep learning (DL) methods…

Machine Learning · Computer Science 2025-11-13 Shuting Jin , Yi Jiang , Yimin Liu , Tengfei Ma , Dongsheng Cao , Leyi Wei , Xiangrong Liu , Xiangxiang Zeng

Identifying relationships between molecular variations and their clinical presentations has been challenged by the heterogeneous causes of a disease. It is imperative to unveil the relationship between the high dimensional molecular…

Methodology · Statistics 2021-09-02 Wennan Chang , Changlin Wan , Yong Zang , Chi Zhang , Sha Cao

Drug recommendation (DR) systems aim to support healthcare professionals in selecting appropriate medications based on patients' medical conditions. State-of-the-art approaches utilize deep learning techniques for improving DR, but fall…

Information Retrieval · Computer Science 2025-11-03 Yu Lin , Zhen Jia , Philipp Christmann , Xu Zhang , Shengdong Du , Tianrui Li

Drug repurposing (or repositioning) is the process of finding new therapeutic uses for drugs already approved by drug regulatory authorities (e.g., the Food and Drug Administration (FDA) and Therapeutic Goods Administration (TGA)) for other…

Artificial Intelligence · Computer Science 2023-06-27 Chaarvi Bansal , Rohitash Chandra , Vinti Agarwal , P. R. Deepa

With recent achievements in tasks requiring context awareness, foundation models have been adopted to treat large-scale data from electronic health record (EHR) systems. However, previous clinical recommender systems based on foundation…

Artificial Intelligence · Computer Science 2023-02-02 Seunghyun Lee , Da Young Lee , Sujeong Im , Nan Hee Kim , Sung-Min Park

Introduction: The discovery of causal mechanisms underlying diseases enables better diagnosis, prognosis and treatment selection. Clinical trials have been the gold standard for determining causality, but they are resource intensive,…

Machine Learning · Computer Science 2020-11-12 Xinpeng Shen , Sisi Ma , Prashanthi Vemuri , M. Regina Castro , Pedro J. Caraballo , Gyorgy J. Simon

In recent decades, traditional drug research and development have been facing challenges such as high cost, long timelines, and high risks. To address these issues, many computational approaches have been suggested for predicting the…

Quantitative Methods · Quantitative Biology 2023-09-13 Chunyan Ao , Zhichao Xiao , Lixin Guan , Liang Yu

The rising rates of diabetes necessitate innovative methods for its management. Continuous glucose monitors (CGM) are small medical devices that measure blood glucose levels at regular intervals providing insights into daily patterns of…

Quantitative Methods · Quantitative Biology 2024-10-10 Renat Sergazinov , Elizabeth Chun , Valeriya Rogovchenko , Nathaniel Fernandes , Nicholas Kasman , Irina Gaynanova

The computational drug repositioning aims to discover new uses for marketed drugs, which can accelerate the drug development process and play an important role in the existing drug discovery system. However, the number of validated…

Machine Learning · Computer Science 2022-06-02 Xinxing Yang , Genke Yang , Jian Chu

Drug repurposing has historically been an economically infeasible process for identifying novel uses for abandoned drugs. Modern machine learning has enabled the identification of complex biochemical intricacies in candidate drugs; however,…

Machine Learning · Computer Science 2025-09-16 Luke Delzer , Robert Kroleski , Ali K. AlShami , Jugal Kalita

Drug repositioning aims to identify potential new indications for existing drugs to reduce the time and financial costs associated with developing new drugs. Most existing deep learning-based drug repositioning methods predominantly utilize…

Machine Learning · Computer Science 2025-06-02 Renye Zhang , Mengyun Yang , Qichang Zhao , Jianxin Wang

Accurate and robust drug response prediction is of utmost importance in precision medicine. Although many models have been developed to utilize the representations of drugs and cancer cell lines for predicting cancer drug responses (CDR),…

Quantitative Methods · Quantitative Biology 2023-11-22 Xiaoqiong Xia , Chaoyu Zhu , Yuqi Shan , Fan Zhong , Lei Liu

Controlled drug delivery (CDD), the controlled release and delivery of therapeutic drugs inside the human body, is a promising approach to increase the efficacy of drug administration and reduce harmful side effects to the body. CDD has…

Signal Processing · Electrical Eng. & Systems 2023-05-11 Sebastian Lotter , Tom Bellmann , Sophie Marx , Mara Wesinger , Lukas Brand , Maximilian Schäfer , Dagmar Fischer , Robert Schober

Drug repositioning (DR) refers to identification of novel indications for the approved drugs. The requirement of huge investment of time as well as money and risk of failure in clinical trials have led to surge in interest in drug…

Computation and Language · Computer Science 2017-05-23 Sahil Manchanda , Ashish Anand

A pharmacological effect of a drug on cells, organs and systems refers to the specific biochemical interaction produced by a drug substance, which is called its mechanism of action. Drug repositioning (or drug repurposing) is a fundamental…

Machine Learning · Computer Science 2020-05-19 Dehua Chen , Amir Jalilifard , Adriano Veloso , Nivio Ziviani

With the increased availability of large databases of electronic health records (EHRs) comes the chance of enhancing health risks screening. Most post-marketing detections of adverse drug reaction (ADR) rely on physicians' spontaneous…

Applications · Statistics 2018-01-29 Maryan Morel , Emmanuel Bacry , Stéphane Gaïffas , Agathe Guilloux , Fanny Leroy

Treatment planning for chronic diseases is a critical task in medical artificial intelligence, particularly in traditional Chinese medicine (TCM). However, generating optimized sequential treatment strategies for patients with chronic…

Artificial Intelligence · Computer Science 2023-04-26 Kuo Yang , Zecong Yu , Xin Su , Xiong He , Ning Wang , Qiguang Zheng , Feidie Yu , Zhuang Liu , Tiancai Wen , Xuezhong Zhou

Drug repurposing is an effective strategy to identify new uses for existing drugs, providing the quickest possible transition from bench to bedside. Existing methods for drug repurposing that mainly focus on pre-clinical information may…

Applications · Statistics 2021-04-14 Ruoqi Liu , Lai Wei , Ping Zhang

Personalized medicine seeks to identify the causal effect of treatment for a particular patient as opposed to a clinical population at large. Most investigators estimate such personalized treatment effects by regressing the outcome of a…

Machine Learning · Statistics 2021-09-02 Eric V. Strobl , Shyam Visweswaran
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