Prediction of Eye Irritation from Organic Chemicals Using Membrane-Interaction QSAR Analysis
نویسندگان
چکیده
منابع مشابه
Membrane-Interaction QSAR Analysis: Application to the Estimation of Eye Irritation of Organic Compounds
Purpose: The purpose of this study was to explore a possible mechanism of eye irritation by constructing a corresponding general quantitative structure-activity relationship (QSAR) model using a genetic algorithm. The model was derived from a subset of diverse chemical structures found in the Draize eye irritation ECETOC data set. Methods: Molecular dynamic simulation (MDS) was used to generate...
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ژورنال
عنوان ژورنال: Toxicological Sciences
سال: 2001
ISSN: 1096-0929
DOI: 10.1093/toxsci/59.2.335