<p>The ADMET profiling of the selected top 10 polyphenols.</p>

NIAID Data Ecosystem2026-05-10 收录

ADMET预测

多酚药物研发

数据链接：

https://figshare.com/articles/dataset/_p_The_ADMET_profiling_of_the_selected_top_10_polyphenols_p_/31836388 数据链接链接失效反馈

官方服务：

资源简介：

The ADMET profiling of the selected top 10 polyphenols.

创建时间：

2026-03-23

openadmet/openadmet-expansionrx-challenge-data

药物发现

ADMET预测

这是OpenADMET-ExpansionRx盲测挑战赛中使用的完整数据集，该挑战赛于2026年1月19日结束。数据集最初分为训练集和盲测测试集，现在发布了完整数据集，其中包含Expansion Therapeutics公司在RNA介导疾病药物研发活动中收集的真实ADMET数据。在优化候选分子的临床前项目中，Expansion收集了各种ADMET数据，用于研究脱靶效应和感兴趣的属性。数据集包含两个

Hugging Face2026-01-27 更新220

PharmaBench: Enhancing ADMET benchmarks with large language models

ADMET预测

药物发现计算基准

Accurately predicting ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) properties early in drug development is essential for selecting compounds with optimal pharmacokinetics and

Figshare2024-04-07 更新70

MOESM9 of IDAAPM: integrated database of ADMET and adverse effects of predictive modeling based on FDA approved drug data

ADMET预测

药物不良反应

Additional file 9. SQL script to extract and store data (target and binding affinity) from BindingDB TSV file to IDAAPM.

DataCite Commons2024-12-18 更新30

openadmet/openadmet-expansionrx-challenge-test-data-blinded

药物发现

ADMET预测

--- license: cc0-1.0 license_link: LICENSE.md tags: - admet - drug discovery pretty_name: openadmet-expansionrx-test-data-blinded size_categories: - n<1K configs: - config_name: default da

Hugging Face2025-10-27 更新80

Different theoretical ADMET characters of the tested compounds.

ADMET预测

毒性评估

Different theoretical ADMET characters of the tested compounds.

Figshare2022-09-23 更新30