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Voronoi QSAR technique

With the development of accurate computational methods for generating 3D conformations of chemical structures, QSAR approaches that employ 3D descriptors have been developed to address the problems of 2D QSAR techniques, e.g., their inability to distinguish stereoisomers. The examples of 3D QSAR include molecular shape analysis (MSA) [34], distance geometry [35,36], and Voronoi techniques [37]. [Pg.359]

The most popular grid-based QSAR techniques are - GRID method and -> CoMFA a number of related techniques has also been proposed such as - CoMSIA, - Voronoi Molecular Field Analysis, -> hydration free energy density, and the approach based on - G-WHIM descriptors. [Pg.199]

Voronoi Field Analysis grid-based QSAR techniques... [Pg.873]


See other pages where Voronoi QSAR technique is mentioned: [Pg.478]    [Pg.359]    [Pg.279]    [Pg.53]   
See also in sourсe #XX -- [ Pg.53 ]

See also in sourсe #XX -- [ Pg.53 ]




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QSAR

Voronoi techniques

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