戊唑醇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，应用到戊唑醇的急性经口毒性计算，分析得出戊唑醇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、生物降解片段、生物降解性、急性水生毒性、眼睛刺激/腐蚀性、皮肤致敏性等数据信息。 （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10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，获得目标物质戊唑醇的急性经口毒性。This dataset is compiled by collecting chemical toxicity data, screening substances via classification rules combined with analysis of toxicity mechanisms and toxicological data to obtain source substance information for calculation. It is applied to the calculation of acute oral toxicity of tebuconazole, and scientific data for various indicators of tebuconazole's acute oral toxicity are derived through analysis. These data provide a foundation for further toxicity assessment and safety analysis, and the toxicity analysis data of this chemical can serve as a critical basis for chemical registration or filing in countries worldwide. (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, biodegradation fragments, biodegradability, acute aquatic toxicity, eye irritation/corrosion, and skin sensitization. (2) Data Processing Preliminary screening: Primary classification rules were adopted to conduct preliminary screening on substances, and 70,946 substances were retrieved from the aforementioned databases as the basis for sub-classification screening; Sub-classification screening: Ten sets of hierarchical screening rules were progressively implemented, and the target source substances were finally identified through analysis of substance toxicity mechanisms and toxicological data; Analog method extrapolation: Based on the target source substances finally screened and identified, the analog method in the cross-reference method was utilized for extrapolation to obtain the acute oral toxicity of the target substance tebuconazole.

搜集汇总

背景与挑战

背景概述

该数据集专注于化学品戊唑醇的急性经口毒性分析，包含70947条结构化数据，覆盖化学物质登记号、毒性分类、生物降解性等多个关键字段。数据通过QSAR Toolbox软件从多源数据库采集，并经过分类筛选和毒性机理分析，用于计算戊唑醇的毒性指标，支持化学品安全性评估和全球注册登记应用。