Table 2.

Results of all modeling approaches - RMSE - corresponds to the Root Mean Squared Errors of all predictions; RVE is the weighted average of the Ratio of the Variance Explained.

Model	Training set size	Testing set size	RMSE	RVE
Baseline QSAR	112,217	28,122	0.167	0.683
Unified model	112,271	28,068	0.167	0.677
Blind model	132,854	7,485	NA	NA
Semi-blind model	121,737	18,602	0.301	0.208