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Three-dimensional H-bond descriptors

Short description of 3D H-bonding parameters and descriptors is included in [Pg.134]


Many years later, it was found that this characteristic of the descriptor could be used for the correlation of biological activity and three-dimensional structure of molecules. The activity of a compound also depends on the distances between atoms (such as H-bond donors or acceptors) in the molecular structure [91]. Adaptation of the RBF function to biological activity led to the so-called 3D-MoRSE code (3D-Molecule Representation of Structures based on Electron diffraction) [92]. The method of RBF calculation can be simplified in order to derive a descriptor that includes significant information and that can be calculated rapidly ... [Pg.586]


See other pages where Three-dimensional H-bond descriptors is mentioned: [Pg.134]    [Pg.137]    [Pg.139]    [Pg.141]    [Pg.134]    [Pg.137]    [Pg.139]    [Pg.141]    [Pg.128]    [Pg.145]    [Pg.306]    [Pg.463]    [Pg.85]    [Pg.113]    [Pg.145]    [Pg.203]   
See also in sourсe #XX -- [ Pg.134 ]




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Descriptor 2- dimensional

H-bond descriptors

Three-dimensional Descriptors)

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