Augmented graphs

Other variable descriptors were derived from different variable augmented graph-theoretical matrices, [Randic and Pompe, 2001b]. 

Figure 9. The augmented graph for all-rrans n-pemane and augmented graphs for the remaining rotational isomers of /i-pentane.

Figure 10. The augmented graphs for the rotational isomers of n-hexane and their contraction to ternary codes.

Node or edge attribute of augmented graph representations of chemical structures that identifies the local stereochemical environment of its stereogenic unit. Usually two valued plus special unspecified symbol. 

Common Clinical Trial SAS/GRAPH Procedures 205 Using the Annotate Facility for Graph Augmentation 206 Sample Graphs 207... 

Such features, which are probably offered with most CAD systems, can augment the accuracy and convenience of the graph. In this case, the equilibrium curve was automatically drawn by entering a series of points and having the system fit them to a curve. 

To accormt for multiple bonds, atom connectivity matrix, —> adjacency matrix of a multigraph, and adjacency matrix of a general graph can be used instead of the adjacency matrix of a simple graph. To account for heteroatoms, different weighted adjacerucy matrices were proposed, such as the augmented ct acency matrix and chemical adjacency matrix. 

Other important classes of graph-theoretical matrices are neighborhood matrices and matrices derived by a combination of pairs of matrices, such as the sum matrices, augmented matrices, difference matrices, complement matrices, quotient matrices, combined matrices, and expanded matrices (Table Ml). 

The Randic-Plavsic complexity index is defined as the sum of augmented valences of all mutually nonequivalent vertices in the graph ... 

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