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    Prediction of environmental degradation rates for High Production Volume Chemicals (HPVC) using Quantitative Structure-Activity Relationships

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    Authors
    Rorije E
    Muller M
    Peijnenburg WJGM
    Series/Report no.
    RIVM Rapport 719101030
    Language
    en
    
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    Title
    Prediction of environmental degradation rates for High Production Volume Chemicals (HPVC) using Quantitative Structure-Activity Relationships
    Translated Title
    Voorspellingen van degradatiesnelheden in het milieu voor de High Production Volume Chemicals (HPVC) met behulp van Kwantitatieve Structuur-Aktiviteits Relaties
    Publiekssamenvatting
    Estimates of (bio)degradation kinetics for 1073 compounds in various environmental compartments have been made as a part of the EU-project 'Fate and Activity Modelling of Environmental Pollutants using Structure-Activity Relationships' (FAME). These estimates have been made for all single compounds on the High Production Volume Chemicals (HPVC) list of the European Union (as of June 4th 1995). No predictions can be made for the large amount (> 50 %) of mixtures and ill-defined compounds on the HPVC-list. The models that have been applied are Quantitative Structure-Activity Relationships (QSARs), which were selected from literature. An indication of the precision of the estimates is given, either based on available validation studies of the models, and/or based on the statistical quality of the models. Given the large amount of compounds for which no or very few experimental degradation kinetics are available, these estimates can serve as supplementary information for the priority setting and the risk assessment of existing chemicals in the EU that is now being performed as a part of EU Regulation (EEC) 793/93 on existing chemical substances. In the future the estimates, and therefore the selected QSAR models, will be validated using new data on the HPVC that are being collected by the EU at this moment, from the European industries.
    In het kader van het EU-project 'Fate and Activity Modelling of Environmental Pollutants using Structure-Activity Relationships' (FAME) zijn schattingen gemaakt van de (bio)degradatiesnelheden van 1073 stoffen in verschillende milieucompartimenten. Deze schattingen zijn uitgevoerd voor alle zuivere stoffen op de lijst van High Production Volume Chemicals (HPVC) lijst van de Europese Unie (4 Juni 1995). Met behulp van QSARs zijn geen schattingen te maken voor de grote groep van mengsels of slecht definieerbare substanties (> 50 % van de HPVC). De gebruikte modellen zijn Kwantitatieve (Quantitative) Structuur-Activiteits Relaties (QSARs) die in een eerder EU-project (nr. EV5V-CT92-0211 'QSARs for Predicting Fate and Effects of Chemicals in the Environment') zijn geselecteerd uit in de vakliteratuur gepubliceerde modellen. De nauwkeurigheid van de schattingen wordt in dit rapport gegeven aan de hand van eventuele validatiestudies en de statistische gegevens van de modellen. Gezien de grote hoeveelheid bestaande stoffen waarvoor nog geen of slechts enkele gegevens over de degradatie-kinetiek in het milieu beschikbaar zijn, kunnen deze schattingen dienen als aanvullende informatie voor prioritering van stoffen en voor de risico-evaluatie van bestaande stoffen in de EU die momenteel wordt uitgevoerd in het kader van de Europese 'Regulation (EEC) 793/93 on existing chemical substances'. Deze schattingen en daarmee ook de geselecteerde QSAR modellen zullen in de toekomst worden gevalideerd met behulp van data van de Europese chemische industrie, die op dit moment verzameld worden door de EU.
    Publisher
    Rijksinstituut voor Volksgezondheid en Milieu RIVM
    URI
    http://hdl.handle.net/10029/10408
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    RIVM official reports

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