Physicochemical and toxicological properties of the compounds.

Figshare2026-03-23 更新2026-04-28 收录

数据链接：

https://figshare.com/articles/dataset/_p_Physicochemical_and_toxicological_properties_of_the_compounds_p_/31837107 数据链接链接失效反馈

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资源简介：

Physicochemical and toxicological properties of the compounds.

创建时间：

2026-03-23

嘧菌环胺急性经口毒性分析数据

计算毒理学

急性经口毒性预测

计算毒理学作为化学领域的重要分支，当前主流国际监管体系均明确认可其作为合规数据来源，允许符合验证原则的计算毒理数据用于境外化学品注册、风险豁免及资料提报，能够有效补充甚至部分替代传统动物试验数据，大幅降低海外注册的试验成本与周期。该数据通过计算毒理学方法采集，包括分类筛选、毒性机理分析和相似物推算，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，应用到嘧菌环胺的急性经口毒性计算

浙江省数据知识产权登记平台2026-08-19 更新40

Statistical metrics for the linear QSPR model applied to FT (G).

定量构效关系建模

生化性质预测

Statistical metrics for the linear QSPR model applied to FT (G).

NIAID Data Ecosystem30

Predicted toxicity profiles for three selected compounds (CID 163114683, CID 20871246, and CID 243) compared to a control ligand (CID 492405).

化学物毒性预测

计算毒理学

Predicted toxicity profiles for three selected compounds (CID 163114683, CID 20871246, and CID 243) compared to a control ligand (CID 492405).

NIAID Data Ecosystem00

Additional file 1 of Semi-automated workflow for molecular pair analysis and QSAR-assisted transformation space expansion

生化性质预测

分子对分析

Additional file 1. The statistical results of MMPA for the experimental and expanded LogP dataset.

Figshare2024-02-14 更新30

DataSheet1_Estimating provisional margins of exposure for data-poor chemicals using high-throughput computational methods.ZIP

化学品风险评估

计算毒理学

Current computational technologies hold promise for prioritizing the testing of the thousands of chemicals in commerce. Here, a case study is presented demonstrating comparative risk-prioritization ap

NIAID Data Ecosystem10

Physicochemical and toxicological properties of the compounds.

资源简介：

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