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Drug repositioning-a promising strategy for discovering new therapeutic uses for existing drugs-has been increasingly explored in the computational science literature using biomedical databases. However, the technological potential of drug…

Artificial Intelligence · Computer Science 2024-07-25 Yongseung Jegal , Jaewoong Choi , Jiho Lee , Ki-Su Park , Seyoung Lee , Janghyeok Yoon

Drug combination therapy has become a increasingly promising method in the treatment of cancer. However, the number of possible drug combinations is so huge that it is hard to screen synergistic drug combinations through wet-lab…

Machine Learning · Computer Science 2021-07-07 J. Wang , X. Liu , S. Shen , L. Deng , H. Liu*

This Perspective provides examples of current and future applications of deep learning in pharmacogenomics, including: (1) identification of novel regulatory variants located in noncoding domains and their function as applied to…

Severe acute respiratory syndrome coronavirus two (SARS-CoV-2), the virus responsible for the coronavirus disease 2019 (COVID-19) pandemic, represents an unprecedented global health challenge. Consequently, a large amount of research into…

Computational Drug Repositioning (CDR) is the task of discovering potential new indications for existing drugs by mining large-scale heterogeneous drug-related data sources. Leveraging the patient-level temporal ordering information between…

Applications · Statistics 2017-03-01 Zhaobin Kuang , James Thomson , Michael Caldwell , Peggy Peissig , Ron Stewart , David Page

The 2019 coronavirus disease (COVID-19) became a worldwide pandemic with currently no effective antiviral drug except treatments for symptomatic therapy. Flux balance analysis is an efficient method to analyze metabolic networks. It allows…

Molecular Networks · Quantitative Biology 2021-11-12 Ali Kishk , Maria Pires Pacheco , Thomas Sauter

Graph clustering, which aims to divide nodes in the graph into several distinct clusters, is a fundamental yet challenging task. Benefiting from the powerful representation capability of deep learning, deep graph clustering methods have…

Machine Learning · Computer Science 2023-09-13 Yue Liu , Jun Xia , Sihang Zhou , Xihong Yang , Ke Liang , Chenchen Fan , Yan Zhuang , Stan Z. Li , Xinwang Liu , Kunlun He

To combat COVID-19, both clinicians and scientists need to digest vast amounts of relevant biomedical knowledge in scientific literature to understand the disease mechanism and related biological functions. We have developed a novel and…

Coronavirus disease 2019 (COVID-19) has impacted almost every part of human life worldwide, posing a massive threat to human health. There is no specific drug for COVID-19, highlighting the urgent need for the development of effective…

Genomics · Quantitative Biology 2020-12-07 Zhihan Wang , Kai Guo , Pan Gao , Qinqin Pu , Min Wu , Changlong Li , Junguk Hur

Development of new drugs is an expensive and time-consuming process. Due to the world-wide SARS-CoV-2 outbreak, it is essential that new drugs for SARS-CoV-2 are developed as soon as possible. Drug repurposing techniques can reduce the time…

Machine Learning · Computer Science 2022-01-19 Shrimon Mukherjee , Madhusudan Ghosh , Partha Basuchowdhuri

Drug repurposing is an unconventional approach that is used to investigate new therapeutic aids of existing and shelved drugs. Recent advancement in technologies and the availability of the data of genomics, proteomics, transcriptomics,…

Quantitative Methods · Quantitative Biology 2022-07-27 Imra Aqeel , Abdul Majid , Muhammad Ismail , Hina Bashir

COVID-19 has fast-paced drug re-positioning for its treatment. This work builds computational models for the same. The aim is to assist clinicians with a tool for selecting prospective antiviral treatments. Since the virus is known to…

Quantitative Methods · Quantitative Biology 2020-08-03 Aanchal Mongia , Sanjay Kr. Saha , Emilie Chouzenoux , Angshul Majumdar

In recent years, AI models that mine intrinsic patterns from molecular structures and protein sequences have shown promise in accelerating drug discovery. However, these methods partly lag behind real-world pharmaceutical approaches of…

Machine Learning · Computer Science 2023-10-17 Yizhen Luo , Xing Yi Liu , Kai Yang , Kui Huang , Massimo Hong , Jiahuan Zhang , Yushuai Wu , Zaiqing Nie

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…

Drug repositioning holds great promise because it can reduce the time and cost of new drug development. While drug repositioning can omit various R&D processes, confirming pharmacological effects on biomolecules is essential for application…

Machine Learning · Computer Science 2022-12-29 Atsuko Takagi , Mayumi Kamada , Eri Hamatani , Ryosuke Kojima , Yasushi Okuno

In electronic health records (EHRs), clustering patients and distinguishing disease subtypes are key tasks to elucidate pathophysiology and aid clinical decision-making. However, clustering in healthcare informatics is still based on…

Machine Learning · Computer Science 2026-04-09 Manar D. Samad , Yina Hou , Shrabani Ghosh

Despite significant improvements over the last few years, cloud-based healthcare applications continue to suffer from poor adoption due to their limitations in meeting stringent security, privacy, and quality of service requirements (such…

Machine Learning · Computer Science 2021-01-20 Adnan Qayyum , Kashif Ahmad , Muhammad Ahtazaz Ahsan , Ala Al-Fuqaha , Junaid Qadir

Computer-aided diagnosis (CAD) systems play a crucial role in analyzing neuroimaging data for neurological and psychiatric disorders. However, small-sample studies suffer from low reproducibility, while large-scale datasets introduce…

Machine Learning · Computer Science 2025-08-12 Xinglin Zhao , Yanwen Wang , Xiaobo Liu , Yanrong Hao , Rui Cao , Xin Wen

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

In the absence of sufficient medication for COVID patients due to the increased demand, disused drugs have been employed or the doses of those available were modified by hospital pharmacists. Some evidences for the use of alternative drugs…