SAMPL2 challenge: prediction of solvation energies and tautomer ratios.
Skillman
A Geoffrey
AG
Geballe
Matthew T
MT
Nicholls
Anthony
A
D007536:Isomerism; D008024:Ligands; D008956:Models, Chemical; D015233:Models, Statistical; D012995:Solubility; D013816:Thermodynamics
D008024:Ligands