三聚氰胺家兔生殖毒性分析数据

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，应用到三聚氰胺体外家兔生殖毒性，分析得出三聚氰胺对体外家兔生殖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。（1）数据来源：使用 QSAR Toolbox 4.7 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、生殖毒性、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442种物质作为初始筛选基础。
子分类筛选： 逐步实施以下12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、OASIS 的蛋白质结合分析、经合组织（OECD）的蛋白质结合分析、Cramer 的毒性危害分类、改良版 Verhaar 的急性水生毒性分类、OASIS 的急性水生毒性作用模式（MOA）分析、ISS的致癌性（遗传毒性和非遗传毒性）警报分析、ISS 的体内诱变性（微核）警报分析、OASIS 的染色体畸变蛋白质结合警报分析、ECOSAR的水生毒性分类、pH = 7.4 时的电离情况分析。
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，运用相似物法对三聚氰胺的体外家兔生殖毒性进行推算，获得三聚氰胺对体外家兔生殖毒性的科学数据。

Chemical toxicity data were collected, and source substance information for computational applications was derived via a systematic multi-step screening strategy and cross-reference assessment approach combined with analysis of toxicity mechanisms and toxicological data. This framework was applied to investigate the in vitro reproductive toxicity of melamine in rabbits, yielding scientific data on multiple indicators of such toxicity, which provides a foundation for subsequent toxicity evaluation and safety analysis.
(1) Data Source: Substance and toxicity data were collected from the database of QSAR Toolbox 4.7 software, covering fields including bioaccumulation, chemical reactivity, ecotoxicity, reproductive toxicity, and chromosomal aberration.
(2) Data Processing:
Preliminary screening: Primary classification rules were applied to extract 442 substances from the dataset as the basis for initial screening.
Subcategory screening: Twelve types of hierarchical screening rules were gradually implemented, specifically including OASIS DNA binding assay, OECD DNA binding assay, OASIS protein binding assay, OECD protein binding assay, Cramer's toxicity hazard classification, modified Verhaar acute aquatic toxicity classification, OASIS acute aquatic toxicity mode of action (MOA) analysis, ISS carcinogenicity (genotoxic and non-genotoxic) alert analysis, ISS in vivo mutagenicity (micronucleus) alert analysis, OASIS chromosomal aberration protein binding alert analysis, ECOSAR aquatic toxicity classification, and ionization status analysis at pH = 7.4.
Toxicity mechanism and toxicological data analysis: Target source substances were identified, cross-reference calculations were conducted, and the in vitro reproductive toxicity of melamine in rabbits was extrapolated using the analog method to obtain scientific data on various indicators of the aforementioned toxicity.

搜集汇总

数据集介绍

特点

该数据集包含2625条关于三聚氰胺家兔生殖毒性的科学数据，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分析，为三聚氰胺的体外家兔生殖毒性评估和安全性分析提供了依据。数据来源于QSAR Toolbox 4.7软件，涵盖生物累积、化学活性、生态毒性、生殖毒性等多个领域。