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Drug likeness properties and predicted bioactivity score.

NIAID Data Ecosystem2026-05-02 收录

药物相似性

生物活性预测

数据链接：

https://figshare.com/articles/dataset/Drug_likeness_properties_and_predicted_bioactivity_score_/29599519 数据链接链接失效反馈

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资源简介：

Drug likeness properties and predicted bioactivity score.

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创建时间：

2025-07-18

药物再利用

药物相似性

Traditional approaches to drug development are costly and involve high risks. The drug repurposing approach can be a valuable alternative to traditional approaches and has therefore received considera

DataCite Commons2025-05-26 更新110

QSAR classification and regression models for β-secretase inhibitors using relative distance matrices

生物活性预测

QSAR模型

The development of robust QSAR models to predict the activity of molecules of β-secretase inhibitors is an area of interest due to the increase of Alzheimer’s disease in patients in the global populat

DataCite Commons2025-05-01 更新110

Additional file 4 of Papyrus: a large-scale curated dataset aimed at bioactivity predictions

生物活性预测

药物发现

Additional file 4. Matches between structures of the Protein Data Bank and Papyrus data.

Figshare2024-08-13 更新70

Pathway similarity scores

药物相似性

代谢物-蛋白相互作用

Pair-wise pathway similarity scores targeted by of all small-molecule drugs in Drugbank database, empowered by PPI information

DataCite Commons2020-08-25 更新110

Workflows prediction of activity in KNIME

生物活性预测

化学信息学

This file consists of a workflow of a prediction model for biological activity used in chemoinformatics, it consists of a simple but quite robust map for those who are initiating studies on rational d

Figshare2018-12-10 更新70

Drug likeness properties and predicted bioactivity score.

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