Jäckel, H.H.JäckelMüller, M.M.MüllerNendza, M.M.NendzaKlein, W.W.KleinGies-Reuschel, A.A.Gies-Reuschel2022-03-032022-03-031993https://publica.fraunhofer.de/handle/publica/18232710.1007/BF02945886Risk assessment of chemical requires comprehensive data material, which often is not available. To provide substitutes for the lacking experimental ecotoxicological and physico-chemical data, a software-system (SAR-System) has been developed comprising more than 90 estimation models for relevant endpoints. The approach is based on quantitative structure-activity relationships (QSAR). Two major aspects characterize the SAR-System: 1. The implemented models were tested for their validity and application range. 2. The QSARs are accessible by a menu-driven programme package. The following endpoints are included: Phisico-Chemical Data: 1-Octanol/water-partition-coefficient log psubow, vapour pressure, water solubility, pKsuba-value, boiling point. Biological Data: toxicity towards fish, daphnia, tetrahymenae, algae, bacteria and mammals, mutagenicity. Distribution: soil sorption, bioconcentration, Henry-Constant, Mackay (Level 1). Degradation: photodegradation, biodegradability.debiological datadegradationdistributionphysico-chemical dataQSAR570610620660363journal article