Early life stage (ELS) toxicity testing in fish is a crucial test procedure used to evaluate the long-term effects of a wide range of chemicals, including pesticides, industrial chemicals, pharmaceuticals, and food additives. This test is particularly important for screening and prioritizing thousands of chemicals under the Registration, Evaluation, Authorization, and Restriction of Chemicals (REACH) regulation. In silico methods can be used to estimate the toxicity of a chemical when no experimental data is available and to reduce the cost, time, and resources involved in the experimentation process.
View Article and Find Full Text PDFIn this study, we utilized an innovative quantitative read-across (RA) structure-activity relationship (q-RASAR) approach to predict the bioconcentration factor (BCF) values of a diverse range of organic compounds, based on a dataset of 575 compounds tested using Organisation for Economic Co-operation and Development Test Guideline 305 for bioaccumulation in fish. Initially, we constructed the q-RASAR model using the partial least squares regression method, yielding promising statistical results for the training set (R =0.71, Q=0.
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