Data and analysis outputs for: A Scaffold-Aware QSAR and Docking Workflow for Rational Compound Prioritization in Structure-Based Virtual Screening
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https://zenodo.org/doi/10.5281/zenodo.18529976
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资源简介：
This Zenodo record provides curated datasets and analysis outputs supporting the manuscript entitled “A Scaffold-Aware QSAR and Docking Workflow for Rational Compound Prioritization in Structure-Based Virtual Screening.”
All analyses were performed using reproducible Python-based workflows. The deposited files enable full reproduction of the reported QSAR modeling, scaffold-based data splitting, docking validation, Y-randomization, and applicability domain analyses.
The record is publicly visible, and the files are currently under restricted access for peer review. Full access will be granted upon publication.
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Zenodo
创建时间：
2026-02-11
