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1. Moving_Targets Moving_Targets Public

   Repository for storing code related to the paper by Zdrazil B., Richter L., Brown N., and Guha R. "Moving Targets: Monitoring Target Trends in Drug Discovery by Mapping Targets, GO Terms, and Disea…

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2. Steatosis_prediction Steatosis_prediction Public

   Repository for storing code and workflows associated to the paper "Combining in vivo data with in silico predictions for modeling hepatic steatosis by using stratified bagging and conformal predict…

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3. ChEMBL_topic_modelling ChEMBL_topic_modelling Public

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4. EnsembleDocking EnsembleDocking Public

   Forked from AlzbetaTuerkova/EnsembleDocking

   Supplementary data files for the article Tuerkova A, Ungvári O, Laczkó-Rigó R, Mernyák E, Szakács G, Özvegy-Laczka C, Zdrazil B. Data-Driven Ensemble Docking to Map Molecular Interactions of Steroi…

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5. VirtualScreening VirtualScreening Public

   Forked from AlzbetaTuerkova/VirtualScreening

   Suppl. data for: Tuerkova A, Bongers BJ, Norinder U, Ungvári O, Székely V, Tarnovskiy A, Szakács G, Özvegy-Laczka C, van Westen GJP, Zdrazil B. Identifying Novel Inhibitors for Hepatic Organic Anio…

6. Drug-Repurposing-in-KNIME Drug-Repurposing-in-KNIME Public

   Forked from AlzbetaTuerkova/Drug-Repurposing-in-KNIME

   Supplementary data for: Tuerkova A, Zdrazil B. A ligand-based computational drug repurposing pipeline using KNIME and Programmatic Data Access: case studies for rare diseases and COVID-19. J Chemin…