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      RepurposeDrugs: an interactive web-based database and machine learning predictor for repurposing mono- and combination therapies

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      conference-abstract
        1 ,
      REPO4EU
      RExPO23
      25-26 October 2023
      Drug repurposing, Repurposing drug combinations, Drug-disease associations, Clinical trials
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            Abstract

            RepurposeDrugs (https://repurposedrugs.org/) is a web-based data portal that integrates a comprehensive database and machine learning (ML) based predictor designed to uncover novel drug-disease associations (drug repurposing) for mono and combination therapies. It provides an interactive GUI to explore associations between drugs and diseases, categorized into 21 groups, including neoplasms, skin, cardiovascular and other diseases. There are 575 approved drugs, 55 approved drug combinations, and 219 disease indications in RepurposeDrugs. It provides insights into drug approval status, indications, and information on withdrawn or ongoing clinical trials for mono and combination therapies across various diseases.

            In addition to collected data, RepurposeDrugs also provides ML-based predicted drug-disease associations for mono and combination drugs. The backend ML algorithm is trained on known approved/failed indications. It can predict disease association scores for a broad spectrum of compounds uploaded by the end users, regardless of their development status (approved, investigational, or preclinical).

            Accessible without any login requirements, RepurposeDrugs offers most features readily available through a mouse click, requiring no programming skills or in-depth biological knowledge. The portal provides data for customized drug-disease associations (known and predicted), which can be exported into a publication-quality figure in PNG or SVG formats and tabular data in XLSX format.

            To our knowledge, RepurposeDrugs is the first integrative mono and combination therapies database incorporating an ML-based web tool for predicting the likelihood of treatment approval. Unlike conventional drug repurposing databases, it can covers a broad range of diseases and various single drugs and drug combinations, opening new avenues for researchers and clinicians seeking innovative therapeutic solutions.

            Content

            Author and article information

            Conference
            REPO4EU
            30 August 2023
            Affiliations
            [1 ] Institute for Molecular Medicine Finland (FIMM), HiLIFE, University of Helsinki, Finland ( https://ror.org/040af2s02)
            Author notes
            Author information
            https://orcid.org/0000-0003-2435-9862
            Article
            10.58647/REXPO.23000012.v1
            424a08bf-b674-4dbc-ad97-637f81881d94

            This work has been published open access under Creative Commons Attribution License CC BY 4.0 , which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. Conditions, terms of use and publishing policy can be found at www.scienceopen.com .

            RExPO23
            2
            Stockholm, Sweden
            25-26 October 2023
            History
            : 30 August 2023
            Funding
            Funded by: funder-id http://dx.doi.org/10.13039/501100002341, Academy of Finland;
            Categories

            The datasets generated during and/or analysed during the current study are available in the repository: https://repurposedrugs.org/
            Cancer biology,Molecular biology,Bioinformatics & Computational biology
            Drug repurposing,Repurposing drug combinations,Drug-disease associations,Clinical trials

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