Here you can download in Silico models (QSAR and read across) for specific properties, or programs to build up your own model
  • VEGA QSAR logo
    Description

    VEGA provides tens of QSAR models to predict tox, ecotox, environ, and phys-chem properties of chemical substances.

    With VEGA you can get a clear measurement of the reliability of the prediction, and also visualize the most similar compounds of your target substance, for read across assessment. VEGA has been used by ECHA to identify substances suspect to meet Annex III criteria for REACH.

    Last Release
    January 31, 2017
  • Toxread logo
    Description

    ToxRead is a software to assist user in making reproducible read across evaluations.

    ToxRead shows the similar chemicals, structural alerts and relevant features in common between chemicals.

    Last Release
    January 31, 2017
    Official Website
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  • Description

    JANUS expands the prioritization for PBT developed previously by the project PROMETHEUS.

    The German Federal Ministry for the Environment, Nature Conservation, Building and Nuclear Safety recently funded a new project, called JANUS (FKZ 3716 65 4140), to prioritize and screen substances, considering PBT (persistent, bioaccumulative and toxic), CMR (carcinogenic, mutagenic and reprotoxic) sustances, as well as chemicals supposed to be endocrine disruptors. A consortium of three partners, Istituto di Ricerche Farmacologiche Mario Negri, Kode and KnowledgeMiner, will develop a platform within the JANUS project. JANUS further expands the previous prioritization project for PBT, called PROMETHEUS

    Last Release
    January 31, 2017
  • Description

    The Prometheus application provides an overall PBT (persistence, bio-concentration, toxicity) assessment based on QSAR modelling, combined in a final score useful for ranking compounds.

    Last Release
    February 28, 2017
  • Description

    ToxWeight is a program which combines the predictions from VEGA and ToxRead, and thus it provides a weight of evidence assessment joining QSAR and read across.

    A preliminary BETA version is available at request.

    Last Release
    January 31, 2017
  • Toxdelta logo
    Description

    ToxDelta nicely complements ToxRead. ToxDelta keeps into account the differences, and thus the dissimilarity features.

    ToxDelta is a program which identifies the differences between two substances, and if these differences are related an increase or decrease of the effect. It nicely complements ToxRead. While ToxRead identifies the similar compounds and the common structural alerts between the target and similar compound, ToxDelta keeps into account the differences, and thus the dissimilarity features.


    A preliminary BETA version is available for download.

    Last Release
    January 31, 2017