This dataverse contains all data required to replicate the analysis conducted in Muellers et al.'s 2026 publication "Using NMR to predict molecular reactivity" (DOI). Several items below were sourced from other open source datasets, as indicated.
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Unknown - 795.3 KB - MD5: 61c05362285fdaa6268b43508a853298
Unknown - 1.2 MB - MD5: 5c4fa96cfac4a832221586b504ebb8e9
Unknown - 583.3 KB - MD5: 2dfa3d27dcd7de3a3d681cfec99dacd1
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Unknown - 1.4 MB - MD5: 15ad341a404becde4639ea190ac6e9fb
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