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The QSAR analysis of the selected fungal metabolites by ChemDes server.

NIAID Data Ecosystem2026-05-02 收录

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https://figshare.com/articles/dataset/The_QSAR_analysis_of_the_selected_fungal_metabolites_by_ChemDes_server_/29330639 数据链接链接失效反馈

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The QSAR analysis of the selected fungal metabolites by ChemDes server.

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创建时间：

2025-06-16

QSAR建模

抗氧化肽

Due to their multiple beneficial effects, antioxidant peptides have attracted increasing interest. Currently, the screening and identification of bioactive peptides, including antioxidative peptides b

NIAID Data Ecosystem70

Maximal Information Coefficient and Support Vector Regression Based Nonlinear Feature Selection and QSAR Modeling on Toxicity of Alcohol Compounds to Tadpoles of Rana temporaria

生物毒性评估

QSAR建模

Efficient evaluation of biotoxicity of organics is of vital significance to resource utilization and environmental protection. In this study, toxicity of 110 alcohol compounds to tadpoles of Rana temp

DataCite Commons2024-02-19 更新60

Predictions and residuals (biological activities) from the model validated by non-flavonoids.

化合物活性预测

QSAR建模

Predictions and residuals (biological activities) from the model validated by non-flavonoids.

NIAID Data Ecosystem40

Interpretable QSAR modelling for immunotoxicity prediction using enhanced fingerprint and SHAP-based feature selection

免疫毒性评估

QSAR建模

Accurate prediction of immunotoxic effects is essential for chemical safety evaluation and drug development. However, existing methodologies are limited by the scarcity of in vitro data and the inhere

Figshare2025-11-05 更新60

Monte-Carlo method-based QSAR model to discover phytochemical urease inhibitors using SMILES and GRAPH descriptors

药物发现

QSAR建模

Urease inhibitors are known to play a vital role in the field of medicine as well as agriculture. Special attention is attributed to the development of novel urease inhibitors with a view to treat the

NIAID Data Ecosystem50

The QSAR analysis of the selected fungal metabolites by ChemDes server.

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