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Tools

Explore tools developed by and/or used in VHP4Safety.

You can search for a tool that you know using the search box below. Alternatively, you can filter the tools with respect to the case studies' flow step that they belong to and/or the regulatory question that they are associated with. Use the "Filters" button to show filter options, then "OK" to see results, and click "X" to reset the filters.

Contribution and Feedback

We welcome and appreciate any feedback on this catalog of tools or the individual tools listed in it. We also appreciate receiving requests for other tools that you are aware of and deem relevant to this catalog. For these contribution and feedback, please feel free to create an issue at our repository.

Developed by VHP Hosted by VHP
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    Llemy Developed by VHP

    An online tool for answering questions about lipid metabolism and related toxicology/biology using MINERVA pathway knowledge, live web research and AI-generated summaries.

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    MCT8 Docking for MIE Discovery Developed by VHP Hosted by VHP

    A Jupyter notebook (and Flask web application) for predicting binding affinity of compounds to the MCT8 (SLC16A2) thyroid-hormone transporter using neural-network–enhanced molecular docking (Gnina), to flag candidate Molecular Initiating Events in the developmental thyroid-toxicity case study.

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    Molecular AOP Analyser Developed by VHP Hosted by VHP

    A web application for Key Event enrichment analysis on transcriptomic data in the context of molecular AOPs, with Fisher's exact and GSEA tests (FDR-corrected), interactive volcano plots, batch comparisons across conditions, and Cytoscape-based AOP network visualization with gene-expression overlays.

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    Molecular AOP Builder Developed by VHP Hosted by VHP

    A curator-in-the-loop web application for building molecular Adverse Outcome Pathways. Maps AOP Key Events to WikiPathways pathways, Gene Ontology Biological Process and Molecular Function terms, and Reactome pathways, with candidates ranked by BioBERT semantic similarity to the Key Event. Curators assign a confidence level through a structured rubric and an admin approves each mapping before it enters the public REST API; approved mappings are exportable as GMT, RDF/Turtle, CSV and JSON, and are deposited to Zenodo under a persistent concept DOI.

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    NIH Dietary Supplement Label Database

    An online database from the NIH Office of Dietary Supplements that lets you explore information from more than 200,000 dietary supplement labels sold in the United States.

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    O-QT — OECD QSAR Toolbox AI Assistant Developed by VHP

    An online assistant for using the OECD QSAR Toolbox to analyze chemicals, assess hazards and generate AI-based summary reports.

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    ONTOX Physiological Maps

    Maps for illustrating biological processes behind toxicological risks using a standardized graphical notation.

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    OP PBK Model Developed by VHP Hosted by VHP

    An online physiologically based pharmacokinetic model for organophosphates

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    OPSIN: Open Parser for Systematic IUPAC nomenclature

    An online service for parsing chemical IUPAC names into a machine-readable chemical identifiers.

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    PathVisio Developed by VHP

    Desktop software to visualize, edit, and draw new pathways, which can be exported in the GPML format, for example, to WikiPathways.

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    qAOP-App Developed by VHP Hosted by VHP

    An interactive tool for predicting key events (KEs) and adverse outcomes (AOs) over time using ODE-based qAOP models, currently illustrated with cisplatin-induced nephrotoxicity (in vitro RPTEC/TERT1 and in vivo rat kidney models) from the VHP4Safety kidney case study.

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    QSPRpred Developed by VHP Hosted by VHP

    An online tool for chemical activity prediction for various endpoints using target-specific and pretrained QSAR models.

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