Simulation of the Long-Term Toxicity Towards Bobwhite Quail (Colinus virginianus) by the Monte Carlo Method

被引：2

作者：

Iovine, Nadia ^{[1
]}

Toropova, Alla P. ^{[1
]}

Toropov, Andrey A. ^{[1
]}

Roncaglioni, Alessandra ^{[1
]}

Benfenati, Emilio ^{[1
]}

机构：

[1] Ist Ric Farmacolog Mario Negri IRCCS, Dept Environm, Hlth Sci, Via Mario Negri 2, I-20156 Milan, Italy

来源：

JOURNAL OF XENOBIOTICS | 2025年 / 15卷 / 01期

关键词：

QSAR; NOEL; NOEC; Bobwhite quail; Monte Carlo method; CORAL software; QSAR; PESTICIDES; PREDICTION; BIRDS; MODEL;

D O I：

10.3390/jox15010003

中图分类号：

R99 [毒物学（毒理学）];

学科分类号：

100405 ;

摘要：

In this study, models for NOEL (No Observed Effect Level) and NOEC (No Observed Effect Concentration) related to long-term/reproduction toxicity of various organic pesticides are built up, evaluated, and compared with similar models proposed in the literature. The data have been obtained from the EFSA OpenFoodTox database, collecting only data for the Bobwhite quail (Colinus virginianus). Models have been developed using the CORAL-2023 program, which can be used to develop quantitative structure-property/activity relationships (QSPRs/QSARs) and the Monte Carlo method for the optimization of the model. The software provided a model which may be considered useful for the practice. The determination coefficient of the best models for the external validation set was 0.665.

引用

页数：15

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