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HINT descriptors

Walls and Sternberg210 considered surface complementary for docking protein-protein complexes using a vdW-like soft core potential. The use of accessible surface area on binding and complexation has been discussed, for example, by Flower.205 Surface descriptors have been used to calculate solvation energies as part of the energetics of molecular association.144,188,211 Volume overlap was also used to quantify interactions of chemical compounds.201 The HINT exponential function and empirical atomic... [Pg.25]

The linear model containing all the remaining 37 descriptors has = 0.98756. The considerably lower = 0.88667 clearly hints towards overfitting. [Pg.265]


See other pages where HINT descriptors is mentioned: [Pg.118]    [Pg.383]    [Pg.68]    [Pg.83]    [Pg.217]    [Pg.485]    [Pg.61]    [Pg.150]    [Pg.276]    [Pg.47]    [Pg.56]    [Pg.51]    [Pg.523]    [Pg.39]    [Pg.591]    [Pg.406]    [Pg.69]    [Pg.274]    [Pg.591]    [Pg.147]    [Pg.56]    [Pg.45]    [Pg.393]    [Pg.165]    [Pg.171]    [Pg.77]    [Pg.750]    [Pg.497]   
See also in sourсe #XX -- [ Pg.56 ]

See also in sourсe #XX -- [ Pg.56 ]




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