Data for: Predictive modeling of aryl hydrocarbon receptor (AhR) agonism

NIAID Data Ecosystem2026-03-12 收录

毒理信息学

计算化学药物发现

数据链接：

https://data.mendeley.com/datasets/gtmtkv4m2r 数据链接链接失效反馈

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资源简介：

Data base and python script for AhR Agonism modeling

创建时间：

2021-04-26

Rickettsia Aglow: A Fluorescence Assay and Machine Learning Model to Identify Inhibitors of Intracellular Infection

抗感染药物

计算化学药物发现

Rickettsia is a genus of Gram-negative bacteria that has for centuries caused large-scale morbidity and mortality. In recent years, the resurgence of rickettsial diseases as a major cause of pyrexias

NIAID Data Ecosystem170

Additional file 2 of Protecting your skin: a highly accurate LSTM network integrating conjoint features for predicting chemical-induced skin irritation

化学品皮肤刺激性预测

毒理信息学

Supplementary file 2.

Figshare2025-03-28 更新50

Raw data – 1.2 Docking.

天然产物抗菌活性

计算化学药物发现

The present study reports the metabolic profiling and antimicrobial evaluation of Vitex negundo seed extract. UHPLC-QTOF-MS/MS analysis identified seventeen bioactive phytoconstituents, correlated wit

NIAID Data Ecosystem40

Raw data – 3 DFT.

天然产物抗菌活性

计算化学药物发现

NIAID Data Ecosystem60

In silico -based screening of natural products as potential inhibitors of SARS-CoV-2 macrodomain 1

抗病毒药物

计算化学药物发现

The rapid spread of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) worldwide has led to over 600 million cases of coronavirus disease 2019 (COVID-19). Identifying effective molecules tha

Taylor & Francis Group2024-05-20 更新40

Data for: Predictive modeling of aryl hydrocarbon receptor (AhR) agonism

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