(Q)SARs for Predicting Skin Irritation and Corrosion: Mechanisms, Transparency and Applicability of Predictions

Autor: Ingrid Gerner, Kerstin Schlegel, John D. Walker, Etje Hulzebos
Rok vydání: 2004
Předmět:
Zdroj: QSAR & Combinatorial Science. 23:721-725
ISSN: 1611-0218
1611-020X
Popis: This paper describes previously-developed (quantitative) structure-activity relationships [(Q)SARs]for predicting skin irritation and corrosion, proposes mechanisms of skin irritation and corrosion, and discusses the transparency and applicability of predictions. This paper was written to set the tone for companion papers that describe three applications of skin irritation and corrosion (Q)SARs. The first companion paper describes physicochemical property limits that can be used to develop rules for identifying chemical substances with no skin irritation or corrosion potential. The second companion paper describes structural alerts that can be used to develop rules for identifying chemical substances with skin irritation or corrosion potential. The third companion paper describes the Skin Irritation Corrosion Rules Estimation Tool (SICRET), a user-friendly tool that allows non-(Q)SAR experts to identify chemical substances with skin irritation or corrosion potential based on physicochemical property limits and structural alerts.
Databáze: OpenAIRE
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