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cheminformaticscheminformatics-and-compchemcheminformatics-cheminformatics-qsar-rdkitcheminformatics-drug-discovery
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cheminformatics-
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Metal-aware molecular fingerprints for transition metal complexes, with coordination stereochemistry (cis/trans, fac/mer, Δ/Λ).
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Jul 24, 2026 - Python
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