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1.
Brief Bioinform ; 25(4)2024 May 23.
Article in English | MEDLINE | ID: mdl-38980370

ABSTRACT

RepurposeDrugs (https://repurposedrugs.org/) is a comprehensive web-portal that combines a unique drug indication database with a machine learning (ML) predictor to discover new drug-indication associations for approved as well as investigational mono and combination therapies. The platform provides detailed information on treatment status, disease indications and clinical trials across 25 indication categories, including neoplasms and cardiovascular conditions. The current version comprises 4314 compounds (approved, terminated or investigational) and 161 drug combinations linked to 1756 indications/conditions, totaling 28 148 drug-disease pairs. By leveraging data on both approved and failed indications, RepurposeDrugs provides ML-based predictions for the approval potential of new drug-disease indications, both for mono- and combinatorial therapies, demonstrating high predictive accuracy in cross-validation. The validity of the ML predictor is validated through a number of real-world case studies, demonstrating its predictive power to accurately identify repurposing candidates with a high likelihood of future approval. To our knowledge, RepurposeDrugs web-portal is the first integrative database and ML-based predictor for interactive exploration and prediction of both single-drug and combination approval likelihood across indications. Given its broad coverage of indication areas and therapeutic options, we expect it accelerates many future drug repurposing projects.


Subject(s)
Drug Repositioning , Machine Learning , Drug Repositioning/methods , Humans , Internet , Drug Therapy, Combination , Databases, Pharmaceutical , Databases, Factual
2.
Bioinformatics ; 40(7)2024 Jul 01.
Article in English | MEDLINE | ID: mdl-38936341

ABSTRACT

SUMMARY: The limited resolution of spatial transcriptomics (ST) assays in the past has led to the development of cell type annotation methods that separate the convolved signal based on available external atlas data. In light of the rapidly increasing resolution of the ST assay technologies, we made available and investigated the performance of a deconvolution-free marker-based cell annotation method called scType. In contrast to existing methods, the spatial application of scType does not require computationally strenuous deconvolution, nor large single-cell reference atlases. We show that scType enables ultra-fast and accurate identification of abundant cell types from ST data, especially when a large enough panel of genes is detected. Examples of such assays are Visium and Slide-seq, which currently offer the best trade-off between high resolution and number of genes detected by the assay for cell type annotation. AVAILABILITY AND IMPLEMENTATION: scType source R and python codes for spatial data are openly available in GitHub (https://github.com/kris-nader/sp-type or https://github.com/kris-nader/sc-type-py). Step-by-step tutorials for R and python spatial data analysis can be found in https://github.com/kris-nader/sp-type and https://github.com/kris-nader/sc-type-py/blob/main/spatial_tutorial.md, respectively.


Subject(s)
Single-Cell Analysis , Software , Transcriptome , Transcriptome/genetics , Single-Cell Analysis/methods , Gene Expression Profiling/methods , Humans
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