RDKit-Derived Molecular Descriptors for 72 Antiviral Compounds
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资源简介：
This dataset contains computationally generated molecular descriptors for 72 clinically relevant antiviral compounds, calculated using the RDKit cheminformatics toolkit. It is intended for use in quantitative structure-activity relationship (QSAR) modeling, virtual screening, machine learning in drug discovery, and chemoinformatics research focused on antiviral agents.
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Zenodo创建时间：
2026-01-13
