Table 1.

Benchmarking datasets

Index	Property	Size	Units	References
1	Fraction Unbound, Brain	253	Log(fu,brain)	[23]
2	Renal Clearance	636	Log(CLr)	[25]
3	Free Solvation	642	Experimental Hydration Free Energy in Water	[20]
4	Microsomal Clearance	731	Log(mL/min/kg cleared)	[24]
5	Hemolytic Toxicity	828	Log(HD50)	[18]
6	Hepatic Clearance	881	Log(mL/min/kg cleared)	[24]
7	Caco2	910	Log(Papp)	[19]
8	Aqueous Solubility	1128	LogS	[26]
9	Volume of Distribution at Steady State	1130	Log(Body/Blood Concentration in L/kg)	[21]
10	Half-Life	1321	Log(Half-Life in Hours)	[22]

Description of the 10 benchmarking datasets