Convert your CSV files to SDF on the go.
Unsupervised clustering and PCA analysis of African-origin compounds using KMeans (k=4). The project identifies molecular feature patterns, visualizes clusters in reduced PCA space, and extracts representative compounds for each group.
Metal-aware molecular fingerprints for transition metal complexes, with coordination stereochemistry (cis/trans, fac/mer, Δ/Λ).
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