. Author manuscript; available in PMC: 2019 Oct 15.

Published in final edited form as: J Comput Aided Mol Des. 2018 Oct 15;32(10):1087–1095. doi: 10.1007/s10822-018-0147-5

Table 5.

The guest solvation energies, ΔG_solv, for the 14 guests as part of the SAMPL6 CB[8] host-guest challenge. Units are kcal/mol. The standard error for all values is between +/− 0.15 and 0.26 kcal/mol.

Guest	ΔG_solv	Guest	ΔG_solv
G0	−46.33	G7	−53.80
G1	−32.37	G8	−60.07
G2	−46.90	G9	−52.34
G3	−64.63	G10	−59.12
G4	−215.98	G11	−178.16
G5	−53.18	G12	−49.14
G6	−54.39	G13	−24.32