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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

Computational drug repositioning aims to discover new therapeutic diseases for marketed drugs and has the advantages of low cost, short development cycle, and high controllability compared to traditional drug development. The matrix…

Machine Learning · Computer Science 2021-11-30 Xinxing Yang , Genke Yangand Jian Chu

Computational methods in drug repositioning can help to conserve resources. In particular, methods based on biological networks are showing promise. Considering only the network topology and knowledge on drug target genes is not sufficient…

Molecular Networks · Quantitative Biology 2025-04-02 Atte Aalto , La Mi , Diego A. Blanco-Mora , Jorge Goncalves

Computational drug repositioning aims to discover new uses of drugs that have been marketed. However, the existing models suffer from the following limitations. Firstly, in the real world, only a minority of diseases have definite treatment…

Computational Engineering, Finance, and Science · Computer Science 2023-01-18 Xinxing Yang , Genke Yang , Jian Chu

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 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

Positron emission tomography (PET) is an important functional medical imaging technique often used in the evaluation of certain brain disorders, whose reconstruction problem is ill-posed. The vast majority of reconstruction methods in PET…

Image and Video Processing · Electrical Eng. & Systems 2023-06-09 Tin Vlašić , Tomislav Matulić , Damir Seršić

Motivation: Drug combination is a sensible strategy for disease treatment by improving the efficacy and reducing concomitant side effects. Due to the large number of possible combinations among candidate compounds, exhaustive screening is…

Quantitative Methods · Quantitative Biology 2020-02-26 Liang Yu , Mingfei Xia , Lin Gao

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

Positive Unlabeled (PU) learning is widely used in many applications, where a binary classifier is trained on the datasets consisting of only positive and unlabeled samples. In this paper, we improve PU learning over state-of-the-art from…

Machine Learning · Computer Science 2020-04-22 Liwei Jiang , Dan Li , Qisheng Wang , Shuai Wang , Songtao Wang

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

Substance use is a global issue that negatively impacts millions of persons who use drugs (PWUDs). In practice, identifying vulnerable PWUDs for efficient allocation of appropriate resources is challenging due to their complex use patterns…

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 promiscuity and polypharmacology are much discussed topics in pharmaceutical research. Drug repositioning applies established drugs to new disease indications with increasing success. As polypharmacology, defined a drug's ability to…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-05-16 Antonios Makris

The positive-unlabeled (PU) classification is a common scenario in real-world applications such as healthcare, text classification, and bioinformatics, in which we only observe a few samples labeled as "positive" together with a large…

Machine Learning · Computer Science 2018-03-20 Ke Ren , Haichuan Yang , Yu Zhao , Mingshan Xue , Hongyu Miao , Shuai Huang , Ji Liu

The molecular characterization of tumor samples by multiple omics data sets of different types or modalities (e.g. gene expression, mutation, CpG methylation) has become an invaluable source of information for assessing the expected…

Applications · Statistics 2022-08-26 The Tien Mai , Leiv Rønneberg , Zhi Zhao , Manuela Zucknick , Jukka Corander

In ill-posed imaging inverse problems, there can exist many hypotheses that fit both the observed measurements and prior knowledge of the true image. Rather than returning just one hypothesis of that image, posterior samplers aim to explore…

Image and Video Processing · Electrical Eng. & Systems 2024-11-04 Matthew C. Bendel , Rizwan Ahmad , Philip Schniter

The extraction of biomedical data has significant academic and practical value in contemporary biomedical sciences. In recent years, drug repositioning, a cost-effective strategy for drug development by discovering new indications for…

Machine Learning · Computer Science 2025-01-20 Enqiang Zhu , Xiang Li , Chanjuan Liu , Nikhil R. Pal

Many attempts have been done to extend the great success of convolutional neural networks (CNNs) achieved on high-end GPU servers to portable devices such as smart phones. Providing compression and acceleration service of deep learning…

Machine Learning · Computer Science 2019-10-09 Yixing Xu , Yunhe Wang , Hanting Chen , Kai Han , Chunjing Xu , Dacheng Tao , Chang Xu

Multimodal representation learning techniques typically rely on paired samples to learn common representations, but paired samples are challenging to collect in fields such as biology where measurement devices often destroy the samples.…

Machine Learning · Computer Science 2024-10-30 Johnny Xi , Jana Osea , Zuheng Xu , Jason Hartford
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