Table 4: Using a tokenized inhibitor encoding does not diminish model performance.

Despite lacking the information that encodes the chemical structure, Junk SMILES strings do not lead to worse model performance when “Standard Split” is used, confirming the extent to which the apparent performance of published models may be reliant on informational leakage.

Dataset Splitting Technique	Dataset	CI	MSE	Pearson R
Junk SMILES	Anastassiadis	0.768	0.166	0.794
	Christmann-Franck	0.794	0.316	0.817
	Davis	0.894	0.181	0.856
	Elkins	0.768	0.145	0.670