碳酸甲乙酯小鼠致癌性分析数据

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，应用到碳酸甲乙酯小鼠致癌性，分析得出碳酸甲乙酯对小鼠致癌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。（1）数据来源：使用 QSAR Toolbox 4.7 软件，从该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、致癌性、致癌性等领域。
（2）数据处理：
初步筛选： 应用首要分类规则，从数据集中提取7024种物质作为初始筛选基础。
子分类筛选： 逐步实施以下13类分层筛选规则，具体为OASIS的 DNA 结合分析、经合组织（OECD）的 DNA 结合分析、经合组织（OECD）的蛋白质结合分析、OASIS 的蛋白质结合分析、急性经口毒性分析、ISS的致癌性（遗传毒性和非遗传毒性）警示分析、ISS 的体外诱变性（艾姆斯试验）警示分析、ISS 的体内诱变性（微核试验）警示分析、肿瘤学初步分类、OASIS 的染色体畸变蛋白质结合警示分析、有机官能团（美国环保署方法）、DART 方案、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，运用相似物法对碳酸甲乙酯的小鼠致癌性进行推算，获得碳酸甲乙酯对小鼠致癌性的科学数据。

This dataset compiles chemical toxicity data, acquired via a systematic multi-step screening strategy and cross-reference evaluation approach, combined with analysis of toxicity mechanisms and toxicological data to derive source substance information for computational applications. It is applied to the carcinogenicity assessment of ethyl methyl carbonate (EMC) in mice, generating scientific data across various carcinogenicity indicators of EMC in mice, thereby providing a foundation for subsequent toxicity evaluation and safety analysis.

(1) Data Source: Using QSAR Toolbox 4.7 software, substances and toxicity data were collected from its database, covering fields including bioaccumulation, chemical reactivity, ecotoxicity, carcinogenicity, and carcinogenicity.

(2) Data Processing:
Preliminary Screening: Primary classification rules were applied to extract 7024 substances from the dataset as the initial screening basis.
Subclass Screening: Thirteen hierarchical screening rules were implemented step-by-step, specifically: OASIS DNA binding assay, Organisation for Economic Co-operation and Development (OECD) DNA binding assay, OECD protein binding assay, OASIS protein binding assay, acute oral toxicity assay, ISS carcinogenicity (genotoxic and non-genotoxic) warning analysis, ISS in vitro mutagenicity (Ames test) warning analysis, ISS in vivo mutagenicity (micronucleus test) warning analysis, preliminary oncology classification, OASIS chromosomal aberration protein binding warning analysis, organic functional groups (U.S. EPA method), DART protocol, and repeated dose toxicity.
Toxicity Mechanism and Toxicological Data Analysis: Target source substances were identified, cross-reference calculations were conducted, and the analog method was employed to extrapolate the carcinogenicity of ethyl methyl carbonate in mice, yielding scientific data on various carcinogenicity indicators of EMC in mice.

搜集汇总

数据集介绍

特点

该数据集是一个关于碳酸甲乙酯小鼠致癌性分析的企业数据，包含166487条记录，数据格式为xlsx。数据集通过系统性的多步筛选策略和交叉参照评估方法，结合毒性机理和毒理数据的分析，为碳酸甲乙酯的小鼠致癌性评估提供了科学依据。