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 - 920.6 KB - MD5: 091266ef4e4d5ba415f91dd513155137
Unknown - 1.0 MB - MD5: 77fd1491f6232028d4a7012b4d8f39a0
Unknown - 1.6 MB - MD5: 0502d2049b3570fbecd8a4e9b8b78681
Unknown - 493.4 KB - MD5: b785472c724142586b2258a1f931ba94
Unknown - 769.8 KB - MD5: 21548036e9dd8dd3c47045d6245a93cc
Unknown - 1.5 MB - MD5: cba92a3a2459a06c6217c0afbe06c4fd
Unknown - 604.4 KB - MD5: 0926a33983ac036ec404ec282b81e667
Unknown - 891.6 KB - MD5: 7ae38492baedfa7c03c6f03ee75a7da1
Unknown - 507.1 KB - MD5: 056f52acbee9ed6547b1bdc08e694310
Unknown - 1.3 MB - MD5: 94ff3ddf6e93bd6f3a3e26115dda3bb4
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