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JCAMD
2010
13 years 6 months ago
2010
Abstract A prospective study of aqueous solvation energies was done using the SM8 and Zap TK models for a variety of geometries. CM4M charges calculated with M06 and M06-2X were fo...
JCAMD
2010
13 years 6 months ago
2010
When we build a predictive model of a drug property we rigorously assess its predictive accuracy, but we are rarely able to address the most important question, “How useful will...