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In den letzten paar Jahrzehnten ist die Gesellschaft zunehmend besorgt über die möglichen Auswirkungen von Chemikalien, denen Menschen und Umweltorganismen ausgesetzt sind. In vielen Ländern hat das zur Umsetzung strenger Chemikalienvorschriften und zur Einleitung ehrgeiziger Risikobewertungs- und Managementprogramme geführt. Es ist jedoch zunehmend offensichtlich geworden, dass die Größe der Aufgabe die Verfügbarkeit der Ressourcen (Experten, Zeit, Geld) übertrifft, wenn herkömmliche Testmethoden verwendet werden.

Diese Erkenntnis hat – verbunden mit der zunehmenden Aufmerksamkeit für Tierschutzbelange – die Entwicklung und Anwendung verschiedener (computerbasierte) Schätzmethoden bei der aufsichtsrechtlichen Begutachtung von Chemikalien veranlasst.

Diese Schätzmethoden umfassen „Struktur-Aktivitäts-Beziehungen” (SARs) und „quantitative Struktur-Aktivitäts-Beziehungen” (QSARs), die gemeinsam (und verwirrenderweise) (Q)SARs genannt werden. Die Methoden und Instrumente können verwendet werden, um die physikochemischen, biologischen (z.B. toxikologischen) und Eigenschaften hinsichtlich des Verhaltens der Moleküle in der Umwelt aus der Kenntnis der chemischen Struktur vorhersagen. Die Methoden und Instrumente der rechnergestützten Expositions- und Auswirkungsbewertung (Toxikologie und Ökotoxikologie) bilden einen wesentlichen und integrierenden Pfeiler im neuen Paradigma der vorhersagenden Risikobewertung, die anstrebt, effizientere und effektivere Mittel zur Beurteilung chemischer Gefahren zu entwickeln, während sie auch Tierversuche vermindert.

Im Kontext der chemischen Risikobewertung können Informationen über Chemikalien, die von den (Q)SARs und verwandten Bewertungsmethoden geliefert werden, die gemeinsam als „Nicht-Testmethoden” bezeichnet werden, in Verbindung mit Informationen aus Testmethoden verwendet werden, indem man schrittweise vorgeht und/oder Beweiskraftkonzepte im Kontext integrierter (oder intelligenter) Versuchsstrategien anwendet.

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