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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

Amid the pandemic of 2019 novel coronavirus disease (COVID-19) infected by SARS-CoV-2, a vast amount of drug research for prevention and treatment has been quickly conducted, but these efforts have been unsuccessful thus far. Our objective…

Quantitative Methods · Quantitative Biology 2022-02-03 Kanglin Hsieh , Yinyin Wang , Luyao Chen , Zhongming Zhao , Sean Savitz , Xiaoqian Jiang , Jing Tang , Yejin Kim

Currently, the number of patients with COVID-19 has significantly increased. Thus, there is an urgent need for developing treatments for COVID-19. Drug repurposing, which is the process of reusing already-approved drugs for new medical…

Quantitative Methods · Quantitative Biology 2020-08-13 Yonghyun Nam , Jae-Seung Yun , Seung Mi Lee , Ji Won Park , Ziqi Chen , Brian Lee , Anurag Verma , Xia Ning , Li Shen , Dokyoon Kim

The 2019 novel coronavirus (SARS-CoV-2) pandemic has resulted in more than a million deaths, high morbidities, and economic distress worldwide. There is an urgent need to identify medications that would treat and prevent novel diseases like…

Machine Learning · Computer Science 2020-12-04 Siddhant Doshi , Sundeep Prabhakar Chepuri

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

Drug development is time-consuming and expensive. Repurposing existing drugs for new therapies is an attractive solution that accelerates drug development at reduced experimental costs, specifically for Coronavirus Disease 2019 (COVID-19),…

Biomolecules · Quantitative Biology 2022-02-11 Xiaoqin Pan , Xuan Lin , Dongsheng Cao , Xiangxiang Zeng , Philip S. Yu , Lifang He , Ruth Nussinov , Feixiong Cheng

The COVID-19 pandemic has initiated a global health emergency, with an exigent need for effective cure. Progressively, drug repurposing is emerging a promise solution as it saves the time, cost and labor. However, the number of drug…

Biomolecules · Quantitative Biology 2024-06-25 Imra Aqeel , Abdul Majid

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

The current pandemic has highlighted the need for methodologies that can quickly and reliably prioritize clinically approved compounds for their potential effectiveness for SARS-CoV-2 infections. In the past decade, network medicine has…

The Corona Virus Disease 2019 (COVID-19) belongs to human coronaviruses (HCoVs), which spreads rapidly around the world. Compared with new drug development, drug repurposing may be the best shortcut for treating COVID-19. Therefore, we…

Machine Learning · Computer Science 2021-07-21 Shuting Jin , Xiangxiang Zeng , Wei Huang , Feng Xia , Changzhi Jiang , Xiangrong Liu , Shaoliang Peng

The novelty of new human coronavirus COVID-19/SARS-CoV-2 and the lack of effective drugs and vaccines gave rise to a wide variety of strategies employed to fight this worldwide pandemic. Many of these strategies rely on the repositioning of…

Molecular Networks · Quantitative Biology 2021-06-09 Giulia Fiscon , Federica Conte , Lorenzo Farina , Paola Paci

There have been more than 850,000 confirmed cases and over 48,000 deaths from the human coronavirus disease 2019 (COVID-19) pandemic, caused by novel severe acute respiratory syndrome coronavirus (SARS-CoV-2), in the United States alone.…

Quantitative Methods · Quantitative Biology 2020-05-25 Xiangxiang Zeng , Xiang Song , Tengfei Ma , Xiaoqin Pan , Yadi Zhou , Yuan Hou , Zheng Zhang , George Karypis , Feixiong Cheng

Drug repurposing identifies new therapeutic uses for existing drugs, reducing the time and costs compared to traditional de novo drug discovery. Most existing drug repurposing studies using real-world patient data often treat the entire…

Machine Learning · Computer Science 2024-12-31 Seungyeon Lee , Ruoqi Liu , Feixiong Cheng , Ping Zhang

The contributions of model complexity, data volume, and feature modalities to knowledge graph-based drug repurposing remain poorly quantified under rigorous temporal validation. We constructed a pharmacology knowledge graph from ChEMBL 36…

Artificial Intelligence · Computer Science 2026-03-03 Youssef Abo-Dahab , Ruby Hernandez , Ismael Caleb Arechiga Duran

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

Objective: To discover candidate drugs to repurpose for COVID-19 using literature-derived knowledge and knowledge graph completion methods. Methods: We propose a novel, integrative, and neural network-based literature-based discovery (LBD)…

Computation and Language · Computer Science 2021-02-10 Rui Zhang , Dimitar Hristovski , Dalton Schutte , Andrej Kastrin , Marcelo Fiszman , Halil Kilicoglu

Background: Computational drug repurposing is a cost- and time-efficient approach that aims to identify new therapeutic targets or diseases (indications) of existing drugs/compounds. It is especially critical for emerging and/or orphan…

Quantitative Methods · Quantitative Biology 2023-04-26 Chunyu Ma , Zhihan Zhou , Han Liu , David Koslicki

Coronavirus Disease 2019 (COVID-19) has been creating a worldwide pandemic situation. Repurposing drugs, already shown to be free of harmful side effects, for the treatment of COVID-19 patients is an important option in launching novel…

Molecular Networks · Quantitative Biology 2020-07-07 Sumanta Ray , Snehalika Lall , Anirban Mukhopadhyay , Sanghamitra Bandyopadhyay , Alexander Schönhuth

Drug repurposing is more relevant than ever due to drug development's rising costs and the need to respond to emerging diseases quickly. Knowledge graph embedding enables drug repurposing using heterogeneous data sources combined with…

To better understand the potential of drug repurposing in COVID-19, we analyzed control strategies over essential host factors for SARS-CoV-2 infection. We constructed comprehensive directed protein-protein interaction networks integrating…

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