季戊四醇双环硫酸乙烯酯体外血红细胞染色体畸变分析数据

采集了化学品毒性数据，通过系统性的多步筛选策略和交叉参照评估方法，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，应用到季戊四醇双环硫酸乙烯酯体外血红细胞染色体畸变，分析得出季戊四醇双环硫酸乙烯酯对体外血红细胞染色体畸变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。（1）数据来源：使用 QSAR Toolbox 4.5 软件，从该软件数据库中采集物质和毒性数据，涵盖生物累积、化学活性、生态毒性、染色体畸变、染色体畸变等领域。
（2）数据处理：
初步筛选： 应用首要分类规则，从数据集中提取8045种物质作为初始筛选基础。
子分类筛选： 逐步实施以下6类分层筛选规则，具体为由 ISS助大鼠体内代谢模拟器进行的体内诱变性（微核试验）警示（细分）、经合组织（OECD）的 DNA 结合分析（细分）、由 ISS 进行的致癌性（遗传毒性与非遗传毒性）警示（细分）、DART 方案、由 OASIS 进行的基于作用模式（MOA）的急性水生毒性分析（细分）、重复剂量。
毒性机理与毒理数据分析：确定目标源物质，进行交叉参照计算，运用相似物法对季戊四醇双环硫酸乙烯酯的体外血红细胞染色体畸变进行推算，获得季戊四醇双环硫酸乙烯酯对体外血红细胞染色体畸变的科学数据。

This dataset collects chemical toxicity data, adopts systematic multi-step screening strategies and cross-reference assessment methods, combines analysis of toxicity mechanisms and toxicological data to obtain source substance information for calculation, and applies it to the in vitro erythrocyte chromosome aberration assay of pentaerythritol dicyclic ethylene sulfate. Scientific data on various indicators of in vitro erythrocyte chromosome aberration induced by pentaerythritol dicyclic ethylene sulfate are obtained through analysis, providing a basis for further toxicity assessment and safety analysis.
(1) Data Source: Using QSAR Toolbox 4.5 software, substance and toxicity data were collected from its database, covering bioaccumulation, chemical reactivity, ecotoxicity, chromosome aberration, and chromosome aberration-related fields.
(2) Data Processing:
1. Preliminary Screening: Primary classification rules were applied to extract 8045 substances from the dataset as the initial screening foundation.
2. Subclassification Screening: Six types of hierarchical screening rules were gradually implemented, specifically:
- In vivo mutagenicity (micronucleus test) alert (subdivision) conducted via the ISS rat in vivo metabolism simulator;
- OECD DNA binding analysis (subdivision);
- Carcinogenicity (genotoxicity and non-genotoxicity) alert (subdivision) conducted by ISS;
- DART protocol;
- Mode of Action (MOA)-based acute aquatic toxicity analysis (subdivision) conducted by OASIS;
- Repeated dose toxicity.
3. Toxicity Mechanism and Toxicological Data Analysis: Target source substances were identified, cross-reference calculations were performed, and the analogue method was used to extrapolate the in vitro erythrocyte chromosome aberration data of pentaerythritol dicyclic ethylene sulfate, thereby obtaining scientific data on various indicators of in vitro erythrocyte chromosome aberration induced by pentaerythritol dicyclic ethylene sulfate.

搜集汇总

数据集介绍

特点

该数据集提供了季戊四醇双环硫酸乙烯酯的体外血红细胞染色体畸变分析数据，包含2940条记录，涵盖多个毒性相关指标，适用于毒性评估和安全性分析。