王雅琪;刘会会;杨先海;

• 1:南京理工大学环境与生物工程学院江苏省化工污染控制与资源化高校重点实验室

摘要(Abstract)：

鱼类急性毒性参数是进行化学品生态风险评估、分类标签等工作不可或缺的毒性指标。本文选取634个有机化学品对黑头呆鱼(Pimephales promelas)的急性毒性数据,并依据"全球化学品统一分类和标签制度"(GHS)中推荐的分类标准,将急性毒性值小于和大于100 mg·L-1的物质分别划分为有毒物质和无毒物质。以分类结果为建模指标,构建了基于欧几里德距离的K最近邻(k NN)二元分类模型。评估结果表明,模型训练集和验证集的预测准确度(Q)、敏感性(Sn)和特异性(Sp)参数均大于0.7,说明模型具有较好的预测能力。因而,在化学品分类标签工作中,可使用该模型预测缺失的鱼类急性毒性类别。

关键词(KeyWords)： 黑头呆鱼;急性毒性;kNN;欧几里德距离;全球化学品统一分类和标签制度

Abstract:

Keywords:

基金项目(Foundation): 国家自然科学基金(No.41671489,21507038,21507061)

作者(Author): 王雅琪;刘会会;杨先海;

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DOI:

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