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lucy-ngcase

maintained by steinbeck

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Full de novo structure elucidation - skip dereplication and solve the structure from NMR correlations. Use when dereplication returned no matches, the compound is known to be novel, or you want to solve the structure from first principles.

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Skill Details

GitHub Stars 0
GitHub Forks 0
Created Jan 2026
Last Updated il y a 6 mois
tools tools scientific computing

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