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Drug Repositioning

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Knowledge graphs and their applications in drug discovery.

Expert opinion on drug discovery
INTRODUCTION: Knowledge graphs have proven to be promising systems of information storage and retrieval. Due to the recent explosion of heterogeneous multimodal data sources generated in the biomedical domain, and an industry shift toward a systems b...

An Analytical Review of Computational Drug Repurposing.

IEEE/ACM transactions on computational biology and bioinformatics
Drug repurposing is a vital function in pharmaceutical fields and has gained popularity in recent years in both the pharmaceutical industry and research community. It refers to the process of discovering new uses and indications for existing or faile...

A Novel Drug Repositioning Approach Based on Collaborative Metric Learning.

IEEE/ACM transactions on computational biology and bioinformatics
Computational drug repositioning, which is an efficient approach to find potential indications for drugs, has been used to increase the efficiency of drug development. The drug repositioning problem essentially is a top-K recommendation task that rec...

Identification of SARS-CoV-2 viral entry inhibitors using machine learning and cell-based pseudotyped particle assay.

Bioorganic & medicinal chemistry
In response to the pandemic caused by SARS-CoV-2, we constructed a hybrid support vector machine (SVM) classification model using a set of publicly posted SARS-CoV-2 pseudotyped particle (PP) entry assay repurposing screen data to identify novel pote...

DTI-SNNFRA: Drug-target interaction prediction by shared nearest neighbors and fuzzy-rough approximation.

PloS one
In-silico prediction of repurposable drugs is an effective drug discovery strategy that supplements de-nevo drug discovery from scratch. Reduced development time, less cost and absence of severe side effects are significant advantages of using drug r...

Machine learning identifies candidates for drug repurposing in Alzheimer's disease.

Nature communications
Clinical trials of novel therapeutics for Alzheimer's Disease (AD) have consumed a large amount of time and resources with largely negative results. Repurposing drugs already approved by the Food and Drug Administration (FDA) for another indication i...

Artificial intelligence, machine learning, and drug repurposing in cancer.

Expert opinion on drug discovery
: Drug repurposing provides a cost-effective strategy to re-use approved drugs for new medical indications. Several machine learning (ML) and artificial intelligence (AI) approaches have been developed for systematic identification of drug repurposin...

Predicting Potential SARS-COV-2 Drugs-In Depth Drug Database Screening Using Deep Neural Network Framework SSnet, Classical Virtual Screening and Docking.

International journal of molecular sciences
Severe Acute Respiratory Syndrome Corona Virus 2 has altered life on a global scale. A concerted effort from research labs around the world resulted in the identification of potential pharmaceutical treatments for CoVID-19 using existing drugs, as we...

Applications of artificial intelligence in drug development using real-world data.

Drug discovery today
The US Food and Drug Administration (FDA) has been actively promoting the use of real-world data (RWD) in drug development. RWD can generate important real-world evidence reflecting the real-world clinical environment where the treatments are used. M...

DeepDILI: Deep Learning-Powered Drug-Induced Liver Injury Prediction Using Model-Level Representation.

Chemical research in toxicology
Drug-induced liver injury (DILI) is the most frequently reported single cause of safety-related withdrawal of marketed drugs. It is essential to identify drugs with DILI potential at the early stages of drug development. In this study, we describe a ...