ITS Webtool
SIMPPLE, Tarragona, Spain
The central software outcome of OSIRIS is the OSIRIS webtool. This tool guides in performing ITS on skin sensitisation, repeated dose toxicity, mutagenicity, carcinogenicity, bioconcentration factor, and aquatic toxicity.
For more information, please contact SIMPPLE.
ChemProp
Helmholtz Centre for Environmental Research (UFZ), Department of Ecological Chemistry, Leipzig, Germany
ChemProp (Chemical Properties Estimation Software System) allows for QSAR estimations and structure related database retrieval. The OSIRIS webtool is able to directly access a locally installed ChemProp in order to retrieve information needed in the ITS.
The ChemProp OSIRIS edition is publicly available for free, based on bilateral license agreements. Information on ChemProp and how to obtain a license can be found here:
ACC-HUMANSTEADY 1.0
Gertje Czub, Elham Arbaban, Emma Undeman and Michael McLachlan, Department of Applied Environmental Science, Stockholm University, Sweden
ACC-HUMANsteady is a steady state (fugacity based) model of the bioaccumulation of organic contaminants
The basic inputs to the model are two of the three partition coefficients between air-water, octanol-water and octanol-air, the corresponding heats of phase transfer, degradation rates, and chemical concentrations in air, water, soil and sediment. It also has a built in Level I environmental fate model. This model is coded in Visual Basic for Applications (VBA) and runs within Microsoft Excel. The model has been developed and tested on a 32-bit version of Excel 2007 and on a 64-bit version of Excel 2010. The download comprises the Excel file containing the model, a guide to installing, starting and using ACC-HUMANsteady, and a detailed description of the model structure, the input parameters and the process descriptions in the model.
Download
The download and use is strictly restricted to the conditions mentioned in the documents!
DTU Model Suite
DTU Environment, Department of Environmental Engineering, Denmark
The models for ionizable compounds were hosted on the website of Antonio Franco at DTU. There were Koc-models, the Multimedia Activity Model for Ionics MAMI, and the simulation model for ionic compounds in wastewater treatment plants, Activity SimpleTreat.
Models to uptake into plants and to bioaccumulation of ionic compounds had been placed on the website of Dr. Stefan Trapp at DTU. There were Plant Uptake models and the Cell Model.
All these models are implemented in Excel, and are accompanied by description and user instructions.
For more information, please contact DTU.
E-SovTox
National Institute of Chemical Physics and Biophysics (NICPB), Tallinn, Estonia
E-SovTox is a database on main publicly available sources of toxicity data published in Russian language.
For access to E-SovTox please contact NICPB.