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Quantitative structure-activity relationships drug design optimization

Quantitative structure-activity relationships are used to model the biological effect of a set of compounds and to propose new structures with optimized biological activity (see Quantitative StructureActivity Relationships in Drug Design). Such a system makes extensive use of structure generation, substructure search, and symmetry perception algorithms. [Pg.168]

Crystal Structure Calculations 1 Crystal Structure Calculations 2 Electron-Molecule Scattering Geometry Optimization 1 Geometry Optimization 2 Quantitative Structure-Activity Relationships in Drug Design X-Ray Crystallographic Analysis and Semiempirical Computations. [Pg.2747]

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See also in sourсe #XX -- [ Pg.102 , Pg.103 , Pg.104 , Pg.134 ]