Scaffold-Local Fragment-Additivity Breakdown in Coumarin logP Prediction: DFT-Supported Reliability Triage for Medicinal Chemistry Decision-Making

Name: Scaffold-Local Fragment-Additivity Breakdown in Coumarin logP Prediction: DFT-Supported Reliability Triage for Medicinal Chemistry Decision-Making
Creator: Zenodo
Published: 2026-06-11T15:54:11+08:00

Zenodo2026-06-11 更新2026-06-12 收录

生化性质预测

计算化学可靠性分析

数据链接：

https://zenodo.org/doi/10.5281/zenodo.20646451 数据链接链接失效反馈

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资源简介：

Journal-neutral reproducibility repository containing curated coumarin logP benchmark data, external comparator outputs, SangsterLogP audit files, DFT/MEP panel files, figures, scripts, and checksums for a reliability-triage analysis of fragment-additivity breakdown in coumarin logP prediction.

提供机构：

Zenodo

创建时间：

2026-06-11