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  1. QSAR_DILI_2019 QSAR_DILI_2019 Public

    Training data for "Prediction of clinically relevant drug-induced liver injury from structure using machine learning" (Hammann et al., J Appl Toxicol . 2019 Mar;39(3):412-419)

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  2. SimpleJulia SimpleJulia Public

    Code snippets in Julia

    Jupyter Notebook 3

  3. sars2-viral-kinetics sars2-viral-kinetics Public

    Simulate effects of drug treatment regimens on the viral kinetics of SARS-CoV-2 to explore repurposing treatments in Covid-19

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  4. COSAscore COSAscore Public

    Prognostic risk stratification tools for Covid-19 patients

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  5. sars2-variants sars2-variants Public

    Simulating drug effects in highly transmissible variants of Sars-CoV-2

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  6. PK_TF_Structure_Perception PK_TF_Structure_Perception Public

    Identify structural PK models using neural networks

    Jupyter Notebook 1