敌草隆副产物2急性经口毒性分析数据

采集了化学品毒性数据，通过分类筛选并结合毒性机理和毒理数据的分析得到用于计算的源物质信息，应用到敌草隆副产物2的急性经口毒性计算，分析得出敌草隆副产物2的急性经口毒性各类指标的科学数据，为进一步的毒性评估和安全性分析提供了依据，该化学品的毒性分析数据可以作为重要依据应用于在世界各国的化学品注册或登记中。（1）数据来源
使用 QSAR Toolbox 软件，从多个数据库中采集物质和毒性数据，涵盖急性经口毒性、毒性危害分类、发育与生殖毒性、新化学品分类、电离程度、数据库归属、急性水生毒性、解偶联剂、致突变性、蛋白结合、致癌性、染色体畸变、结构相似性等数据信息。
（2）数据处理
初步筛选：使用首要分类规则对物质进行初步筛选，从上述数据库中获得70946个物质作为子分类筛选基础；
子分类筛选：逐步实施12类分层筛选规则，并通过物质毒性机理和毒理数据分析，最终确定目标源物质；
相似物法推算：根据最终筛选确定的目标源物质，使用交叉参照方法中的相似物法进行推算，获得目标物质敌草隆副产物2的急性经口毒性。

This dataset collects chemical toxicity data, obtains source substance information for calculation via classification screening combined with analysis of toxicity mechanisms and toxicological data, and applies it to the acute oral toxicity calculation of Diuron byproduct 2. Scientific data on various indicators of the acute oral toxicity of Diuron byproduct 2 are obtained through analysis, providing a basis for further toxicity assessment and safety analysis. The toxicity analysis data of this chemical can serve as an important basis for chemical registration or regulation in countries around the world.
(1) Data Source
The QSAR Toolbox software was used to collect substance and toxicity data from multiple databases, covering information such as acute oral toxicity, toxicity hazard classification, developmental and reproductive toxicity, new chemical classification, degree of ionization, database attribution, acute aquatic toxicity, uncouplers, mutagenicity, protein binding, carcinogenicity, chromosomal aberrations, and structural similarity.
(2) Data Processing
Preliminary screening: Primary classification rules were used to conduct preliminary screening of substances, and 70,946 substances were obtained from the above databases as the basis for subcategory screening;
Subcategory screening: 12 layers of hierarchical screening rules were gradually implemented, and the target source substances were finally determined through analysis of substance toxicity mechanisms and toxicological data;
Read-across calculation: Based on the target source substances finally determined through screening, the read-across method in cross-reference methods was used for calculation, and the acute oral toxicity of the target substance Diuron byproduct 2 was obtained.

搜集汇总

背景与挑战

背景概述

该数据集专注于敌草隆副产物2的急性经口毒性分析，包含70947条记录，覆盖急性经口毒性、毒性危害分类、发育与生殖毒性等多个毒性指标字段。数据通过QSAR Toolbox从多个数据库采集，并经过分类筛选和相似物法推算处理，旨在为敌草隆副产物2的毒性评估和安全性分析提供科学依据，支持化学品在全球范围内的注册或登记应用。