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 - 320.6 KB - MD5: c371bc383137b53856ae3d2621aded22
Unknown - 1005.9 KB - MD5: 0aa850c2414180fd640604e75dd31c71
Unknown - 560.4 KB - MD5: 7e03bd5474d579fc5d9b6863f1162546
Unknown - 512.4 KB - MD5: 90adbb98c3d17a8acef8e1c496221980
Unknown - 1.2 MB - MD5: ebb0a653d6856a44b89b18bcb02aa2a9
Unknown - 2.2 MB - MD5: 319ce0a13232467720fd54997edfa3e7
Unknown - 1.7 MB - MD5: d6b7e6391fbd4709a8623e0725471813
Unknown - 388.2 KB - MD5: 8920f1ebf278b82a88f30fa68e9d3cf2
Unknown - 551.4 KB - MD5: 1ab301b7f1813cc8cca7c1446a9d9550
Unknown - 1.2 MB - MD5: e6b7597e3b5e876b9a7760aea621947b
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