Table 6:

Effect of recalibrating small molecule models on predicted hydration free energies. Error estimates are obtained using Monte Carlo bootstrapping.

	ΔG(aq.) (kcal/mol)
	NMA.	Acetate
Expt.	−10.0a	−94.0b
Orig.	−8.6 ± 0.1	−83.9 ± 0.3
Set1	−7.8 ± 0.1	−94.7 ± 0.3
Set2	−8.6 ± 0.1	−94.6 ± 0.3
Set3	−7.4 ± 0.1	−94.7 ± 0.3
Set4	−8.8 ± 0.1	−94.6 ± 0.3
Set5	−8.1 ± 0.1	−94.3 ± 0.3

^ataken from reference 92 and

^bis taken from reference 91.