Table 1.

Comparison of analyzed synthetic accessibility scores

	SAscore	SCScore	RAscore	SYBA
Molecule representation	Pipeline Pilot ECFP4 / RDKit Morgan FP radius 2	RDKit Morgan FP radius 2	RDKit Morgan FP radius 2	RDKit Morgan FP radius 2
Training dataset	Molecules from PubChem	Reactions from Reaxys	Molecules from ChEMBL	Molecules from ZINC15
Infeasible training molecules generation	No	No	AiZynthFinder verification	Using Nonpher
Model	Fragment contributions	Neural network	Neural network and GBM	Naïve Bayes