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  1. fup-transfer-learningfup-transfer-learningPublic

    Jupyter notebook, R scripts, and tabular data files to support the publication "Deep Transfer Learning of a Quantitative Structure-Activity Relationship to Predict Fraction Unbound in Human Plasma …

    Jupyter Notebook

  2. ttr-binding-analysisttr-binding-analysisPublic

    Jupyter notebook and tabular data files to support the publication "Combined In vitro and In silico Workflow to Deliver Robust, Transparent, and Contextually Rigorous Models of Bioactivity" (Chares…

    Jupyter Notebook 1

  3. wikipedia-infoboxeswikipedia-infoboxesPublic

    Query and processing code to support the publication "Wikipedia curation and the US-EPA CompTox Chemicals Dashboard" (Sinclair et al. 2022)

    Java 4 1

  4. NMCharest/tcpl2NMCharest/tcpl2Public

    Python translation of dose-response data analysis library

    Python

  5. pfasstructpfasstructPublic

    Command-line utility to generate iterations of the PFASSTRUCT lists based on a fraction-fluorine and/or substructure-based definition as in the publication "A proposed approach to defining per- and…

    Python 1

  6. dtxsmartsdtxsmartsPublic

    No-frills command-line SMARTS substructure search for DSSTOX

    Python