Generative AI and Structure-Based Workflow for the De Novo Design and Optimization of DprE1 Inhibitor Candidates
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资源简介：
This data set consist of DprE1 enzyme inhibitors. The set consist of ligands and their biological activity as MIC, IC50 and IC90 in some cases. All this infromation was collected from various research articles published in the journals. The dataset can be used for various puposes like ML or QSAR studies.
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Zenodo创建时间：
2026-06-02
