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Table 1 Examples of papers about chemical shift prediction and the number of structures used

From: NMR shift prediction from small data quantities

Literature reference

[5]

[6]

\(^{13}C\) [7]

\(^{1}H\) [7]

[8]

[9]

[10]

[4]

Number of structures used

32,538

57,456

21,481

10,248

75,382

400,000

8000

17,000