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Predicting drug side-effects before they occur is a key task in keeping the number of drug-related hospitalizations low and to improve drug discovery processes. Automatic predictors of side-effects generally are not able to process the…

Machine Learning · Statistics 2022-12-01 Pietro Bongini , Elisa Messori , Niccolò Pancino , Monica Bianchini

Design of new drug compounds with target properties is a key area of research in generative modeling. We present a small drug molecule design pipeline based on graph-generative models and a comparison study of two state-of-the-art graph…

Machine Learning · Computer Science 2021-02-10 Logan Ward , Jenna A. Bilbrey , Sutanay Choudhury , Neeraj Kumar , Ganesh Sivaraman

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

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

By the start of 2020, the novel coronavirus disease (COVID-19) has been declared a worldwide pandemic. Because of the severity of this infectious disease, several kinds of research have focused on combatting its ongoing spread. One…

Image and Video Processing · Electrical Eng. & Systems 2021-05-19 Safa Ben Atitallah , Maha Driss , Wadii Boulila , Henda Ben Ghézala

This study explores the vaccine prioritization strategy to reduce the overall burden of the pandemic when the supply is limited. Existing methods conduct macro-level or simplified micro-level vaccine distribution by assuming the homogeneous…

Populations and Evolution · Quantitative Biology 2023-05-10 Lu Ling , Washim Uddin Mondal , Satish V , Ukkusuri

Development of new medications is a very lengthy and costly process. Finding novel indications for existing drugs, or drug repositioning, can serve as a useful strategy to shorten the development cycle. In this study, we present an approach…

Genomics · Quantitative Biology 2017-12-13 Kai Zhao , Hon-Cheong So

The ongoing COVID-19 pandemic has already taken millions of lives and damaged economies across the globe. Most COVID-19 deaths and economic losses are reported from densely crowded cities. It is comprehensible that the effective control and…

Image and Video Processing · Electrical Eng. & Systems 2022-08-04 Zeba Ghaffar , Pir Masoom Shah , Hikmat Khan , Syed Farhan Alam Zaidi , Abdullah Gani , Izaz Ahmad Khan , Munam Ali Shah , Saif ul Islam

Single-cell and single-nucleus RNA sequencing (scRNA-seq /snRNA-seq) are widely used to reveal heterogeneity in cells, showing a growing potential for precision and personalized medicine. Nonetheless, sustainable drug discovery must be…

Molecular Networks · Quantitative Biology 2025-10-01 Sean Cottrell , Seungmin Yoon , Xiaoqi Wei , Alex Dickson , Guo-Wei Wei

The world is currently experiencing an ongoing pandemic of an infectious disease named coronavirus disease 2019 (i.e., COVID-19), which is caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Computed Tomography (CT)…

Image and Video Processing · Electrical Eng. & Systems 2021-12-10 Qinghao Ye , Yuan Gao , Weiping Ding , Zhangming Niu , Chengjia Wang , Yinghui Jiang , Minhao Wang , Evandro Fei Fang , Wade Menpes-Smith , Jun Xia , Guang Yang

The COVID19 pandemic, a unique and devastating respiratory disease outbreak, has affected global populations as the disease spreads rapidly. Recent Deep Learning breakthroughs may improve COVID19 prediction and forecasting as a tool of…

Image and Video Processing · Electrical Eng. & Systems 2023-10-24 Md Aminul Islam , Shabbir Ahmed Shuvo , Mohammad Abu Tareq Rony , M Raihan , Md Abu Sufian

Neoplasms (NPs) and neurological diseases and disorders (NDDs) are amongst the major classes of diseases underlying deaths of a disproportionate number of people worldwide. To determine if there exist some distinctive features in the local…

Molecular Networks · Quantitative Biology 2022-12-27 Vikram Singh , Vikram Singh

The new type of coronavirus disease (COVID-19), which started in Wuhan, China in December 2019, continues to spread rapidly affecting the whole world. It is essential to have a highly sensitive diagnostic screening tool to detect the…

Image and Video Processing · Electrical Eng. & Systems 2020-12-25 Coşku Öksüz , Oğuzhan Urhan , Mehmet Kemal Güllü

The identification of disease-associated genes has recently gathered much attention for uncovering disease complex mechanisms that could lead to new insights into the treatment of diseases. For exploring disease-susceptible genes, not only…

Computational Engineering, Finance, and Science · Computer Science 2016-04-27 Zahra Razaghi-Moghadam , Razieh Abdollahi , Sama Goliaei , Morteza Ebrahimi

Automatic and rapid screening of COVID-19 from the chest X-ray images has become an urgent need in this pandemic situation of SARS-CoV-2 worldwide in 2020. However, accurate and reliable screening of patients is a massive challenge due to…

Image and Video Processing · Electrical Eng. & Systems 2020-06-25 Mahesh Gour , Sweta Jain

Computational drug repurposing for rare diseases is especially challenging when no prior associations exist between drugs and target diseases. Therefore, knowledge graph completion and message-passing GNNs have little reliable signal to…

Artificial Intelligence · Computer Science 2025-10-17 Lang Qin , Zijian Gan , Xu Cao , Pengcheng Jiang , Yankai Jiang , Jiawei Han , Kaishun Wu , Jintai Chen

The screening testing is an effective tool to control the early spread of an infectious disease such as COVID-19. When the total testing capacity is limited, we aim to optimally allocate testing resources among n counties. We build a…

Methodology · Statistics 2022-03-28 Yaxuan Huang , Zheng Tracy Ke , Jiashun Jin

SARS-CoV2, which causes coronavirus disease (COVID-19) is continuing to spread globally and has become a pandemic. People have lost their lives due to the virus and the lack of counter measures in place. Given the increasing caseload and…

Drug repositioning, that is finding new uses for existing drugs to treat more patients. Cumulative studies demonstrate that the mature miRNAs as well as their precursors can be targeted by small molecular drugs. At the same time, human…

Genomics · Quantitative Biology 2017-08-07 Liang Yu , Jin Zhao , Lin Gao

Monitoring the biomedical literature for cases of Adverse Drug Reactions (ADRs) is a critically important and time consuming task in pharmacovigilance. The development of computer assisted approaches to aid this process in different forms…

Computation and Language · Computer Science 2018-04-25 Diego Saldana Miranda