遇见数据集

Normalized spacial scores of COCONUT compounds

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Zenodo2025-12-04 更新2026-05-26 收录
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This dataset provides a quantitative correlation between molecular structural complexity (nSPS) and the complete COCONUT (Collection of Open Natural Products) database. For each natural product entry, the size-normalized spacial score (nSPS) was calculated using RDKit, and the resulting values were merged with NPClassifier. COCONUT database was accessed 1 December 2025.

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Zenodo
创建时间:
2025-12-04
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