caa a22 4500 465755003 CHVBK 20180323111844.0 cr unu---uuuuu 170327e19901201xx s 000 0 eng 10.1007/BF01164854 doi (NATIONALLICENCE)springer-10.1007/BF01164854 Graph-theoretical interpretation of Ugi's concept of the reaction network [Elektronische Daten] [V. Kvasnička, J. Pospíchal] The concept of a reaction network, initially suggested by Ugi and coworkers, in the framework of the graph-theoretical model of organic chemistry is elaborated. The reaction network for a pair of isomeric educt molecular (G E) and product molecular graphs (G P) is determined as an oriented graph. Its edge, beginning at a graph-vertexG i −1 and ending at a graph-vertexG i , corresponds to a feasible transformation (chemical reaction) constrained by a condition of descending chemical distance from the product graphG P, i.e.CD(G i −1,G P) >CD(G i ,G P). In the reaction network, an oriented path which begins at GE and ends atG P corresponds to the decomposition of the overall transformationG E ⇒G P into a sequence of "elementary” transformationsG 0 =G E ⇒G 1 ⇒G 2 ... ⇒G i−1 ⇒G i =G P that may be assigned to intermediates of the overall transformation. J.C. Baltzer AG, Scientific Publishing Company, 1990 Kvasnička V. Department of Mathematics, Slovak Technical University, 81237, Bratislava, Czechoslovakia aut Pospíchal J. Department of Mathematics, Slovak Technical University, 81237, Bratislava, Czechoslovakia aut Journal of Mathematical Chemistry Kluwer Academic Publishers 5/4(1990-12-01), 309-322 0259-9791 5:4<309 1990 5 10910 https://doi.org/10.1007/BF01164854 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF01164854 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Kvasnička V. Department of Mathematics, Slovak Technical University, 81237, Bratislava, Czechoslovakia aut NATIONALLICENCE 700 1- Pospíchal J. Department of Mathematics, Slovak Technical University, 81237, Bratislava, Czechoslovakia aut NATIONALLICENCE 773 0- Journal of Mathematical Chemistry Kluwer Academic Publishers 5/4(1990-12-01), 309-322 0259-9791 5:4<309 1990 5 10910 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer