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Table 2 Fraction of molecules in the test set for which the individual algorithms were able to find at least one synthesis route. The dagger symbol denotes experiments conducted with the transformation prediction model trained without the class size correcting weights on the loss function

From: Generating diversity and securing completeness in algorithmic retrosynthesis

Search time [s]

DFPN*

\(\text {DFPN*}^{\dagger }\)

MCTS

\(\text {MCTS}^{\dagger }\)

Solved molecules [%]

60

83

84

76

78

120

87

87

84

84

300

90

90

89

89

600

92

93

92

91

900

93

94

93

93

1200

94

95

94

94