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Two-dimensional chemical structures

Molecule editors represent only two-dimensional chemical structures (thus also could be considered as 2D viewers), the third dimension is visualized by 3D viewers, mainly user-interactive. [Pg.146]

Niwa T (2003) Using general regression and probalistic neural networks to predict human intestinal absorption with topological descriptors derived from two-dimensional chemical structures. / Chem Inf Comput Sci 43, 113-119. [Pg.322]

Formal two-dimensional chemical structure diagram in terms of atom and bond properties. Bond types used in the CSD are single, double, triple, quadruple (metal-metal), aromatic, delocalized double, and ji-bonds Bit-encoded screen records (see text)... [Pg.162]

Fig. 7.18 Two-dimensional chemical structure (a) and CPK space-fiUing model (b) of thiopentone showing two different allergenic determinants identified on opposite the attached sulfur atom (shown in magenta-, a and d) sides of the thiopentone molecule, the ethyl and secondary... Fig. 7.18 Two-dimensional chemical structure (a) and CPK space-fiUing model (b) of thiopentone showing two different allergenic determinants identified on opposite the attached sulfur atom (shown in magenta-, a and d) sides of the thiopentone molecule, the ethyl and secondary...
TOOLS FOR SEARCHING TWO-DIMENSIONAL CHEMICAL STRUCTURES OF SMALL MOLECULES... [Pg.217]

The familiar two-dimensional chemical structure diagram could be considered to be the natural language of the chemist, and in everyday communication chemists almost invariably resort to it as their preferred form of structure representation, whether printed in a learned journal or scribbled on the back of an envelope. Whilst these diagrams have found their way into computer-based information systems, their appearance is generally restricted to the user interface, and other types of representation are used internally. [Pg.2819]


See other pages where Two-dimensional chemical structures is mentioned: [Pg.772]    [Pg.398]    [Pg.239]    [Pg.46]    [Pg.467]    [Pg.470]    [Pg.166]    [Pg.268]    [Pg.217]    [Pg.218]    [Pg.220]    [Pg.442]    [Pg.130]    [Pg.1]   
See also in sourсe #XX -- [ Pg.217 , Pg.219 , Pg.225 ]

See also in sourсe #XX -- [ Pg.5 ]




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Chemical dimensionality

Representation of Two-Dimensional Chemical Structures

Searching Files of Two-Dimensional Chemical Structures

Structure two-dimensional

Tools for Searching Two-Dimensional Chemical Structures of Small Molecules

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