Normalized spacial scores of COCONUT compounds
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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



