Table 3. Top-3 Metrics on Condition Prediction with the Model Architecture of Gao et al.:¹¹ Frequency Informed Guess Accuracy//Model Prediction Accuracy//AIB %.

data sets	labeling	labeling	reaction string	reaction string
	rare → “other”	rare → delete rxn	rare → “other”	rare → delete rxn
solvents	57//70//31%	58//71//31%	36//51//24%	35//50//23%
agents	91//94//26%	92//94//23%	46//56//20%	49//59//18%
S + A	52//67//32%	52//68//33%	20//35//19%	20//36//19%