Literature-derived experimental ECD validation set for PhysECD
收藏官方服务：
资源简介：
This dataset contains 77 digitized experimental electronic circular dichroism (ECD) spectra of stereochemically defined natural products collected from 31 published articles. It is the external experimental validation set accompanying the PhysECD study. Each entry provides the dataset identifier, compound number or label in the source article, article DOI, isomeric SMILES, reported solvent, and the digitized experimental ECD curve. Signal units differ among the source articles and are retained in the CSV header when identifiable; README.md documents the file structure and interpretation.
提供机构：
Zenodo创建时间：
2026-09-26
