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Table 2 Top-20 accuracy in predicting multiple condition records for testing reactions

From: Enhancing chemical synthesis: a two-stage deep neural network for predicting feasible reaction conditions

No. of records

No. of hit records

1

2

3

4

5

1 (6067)\(^{1}\)

70.74%

–

–

–

–

2 (1097)\(^{1}\)

89.88%

11.94%

–

–

–

3 (134)\(^{1}\)

80.60%

41.04%

4.48%

–

–

4 (73)\(^{1}\)

90.41%

60.27%

21.92%

4.11%

–

5 (28)\(^{1}\)

67.86%

53.57%

39.29%

21.43%

0%

  1. \(^{1}\) The number in the parentheses represents the number of testing reactions