The computation of the distance matrix and the Wiener index for graphs of arbitrary complexity with weighted vertices and edges
The distance matrix of a molecule contains the number of chemical bonds traversed on the shortest paths along chemical bonds in the molecule for each pair of atoms which can be formed among the atoms in the molecule. An algorithm for the computation of the distance matrix of molecular structures of...
Ausführliche Beschreibung
Gespeichert in:
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
1988 |
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| Reproduktion: |
Elsevier Journal Backfiles on ScienceDirect 1907 - 2002 |
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| Übergeordnetes Werk: |
in: Computers and Chemistry - Amsterdam : Elsevier, 12(1988), 3, Seite 219-227 |
| Übergeordnetes Werk: |
volume:12 ; year:1988 ; number:3 ; pages:219-227 |
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| 520 | |a The distance matrix of a molecule contains the number of chemical bonds traversed on the shortest paths along chemical bonds in the molecule for each pair of atoms which can be formed among the atoms in the molecule. An algorithm for the computation of the distance matrix of molecular structures of arbitrary complexity is presented for the general case in which the chemical bonds differ in their ''lengths''.The so-called topological indices are widely used in searches for empirical structure-property and/or structure-activity relationships. Several of the topological indices currently in use can be computed from the distance matrix, although for special types of molecular structures more efficient recursive procedures have been developed. | ||
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(DE-627)NLEJ174738099 (DE-599)GBVNLZ174738099 DE-627 ger DE-627 rakwb eng The computation of the distance matrix and the Wiener index for graphs of arbitrary complexity with weighted vertices and edges 1988 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier The distance matrix of a molecule contains the number of chemical bonds traversed on the shortest paths along chemical bonds in the molecule for each pair of atoms which can be formed among the atoms in the molecule. An algorithm for the computation of the distance matrix of molecular structures of arbitrary complexity is presented for the general case in which the chemical bonds differ in their ''lengths''.The so-called topological indices are widely used in searches for empirical structure-property and/or structure-activity relationships. Several of the topological indices currently in use can be computed from the distance matrix, although for special types of molecular structures more efficient recursive procedures have been developed. Elsevier Journal Backfiles on ScienceDirect 1907 - 2002 Senn, P. oth in Computers and Chemistry Amsterdam : Elsevier 12(1988), 3, Seite 219-227 (DE-627)NLEJ174733593 (DE-600)1497012-0 0097-8485 nnns volume:12 year:1988 number:3 pages:219-227 http://linkinghub.elsevier.com/retrieve/pii/0097-8485(88)85020-4 GBV_USEFLAG_H ZDB-1-SDJ GBV_NL_ARTICLE AR 12 1988 3 219-227 |
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(DE-627)NLEJ174738099 (DE-599)GBVNLZ174738099 DE-627 ger DE-627 rakwb eng The computation of the distance matrix and the Wiener index for graphs of arbitrary complexity with weighted vertices and edges 1988 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier The distance matrix of a molecule contains the number of chemical bonds traversed on the shortest paths along chemical bonds in the molecule for each pair of atoms which can be formed among the atoms in the molecule. An algorithm for the computation of the distance matrix of molecular structures of arbitrary complexity is presented for the general case in which the chemical bonds differ in their ''lengths''.The so-called topological indices are widely used in searches for empirical structure-property and/or structure-activity relationships. Several of the topological indices currently in use can be computed from the distance matrix, although for special types of molecular structures more efficient recursive procedures have been developed. Elsevier Journal Backfiles on ScienceDirect 1907 - 2002 Senn, P. oth in Computers and Chemistry Amsterdam : Elsevier 12(1988), 3, Seite 219-227 (DE-627)NLEJ174733593 (DE-600)1497012-0 0097-8485 nnns volume:12 year:1988 number:3 pages:219-227 http://linkinghub.elsevier.com/retrieve/pii/0097-8485(88)85020-4 GBV_USEFLAG_H ZDB-1-SDJ GBV_NL_ARTICLE AR 12 1988 3 219-227 |
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(DE-627)NLEJ174738099 (DE-599)GBVNLZ174738099 DE-627 ger DE-627 rakwb eng The computation of the distance matrix and the Wiener index for graphs of arbitrary complexity with weighted vertices and edges 1988 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier The distance matrix of a molecule contains the number of chemical bonds traversed on the shortest paths along chemical bonds in the molecule for each pair of atoms which can be formed among the atoms in the molecule. An algorithm for the computation of the distance matrix of molecular structures of arbitrary complexity is presented for the general case in which the chemical bonds differ in their ''lengths''.The so-called topological indices are widely used in searches for empirical structure-property and/or structure-activity relationships. Several of the topological indices currently in use can be computed from the distance matrix, although for special types of molecular structures more efficient recursive procedures have been developed. Elsevier Journal Backfiles on ScienceDirect 1907 - 2002 Senn, P. oth in Computers and Chemistry Amsterdam : Elsevier 12(1988), 3, Seite 219-227 (DE-627)NLEJ174733593 (DE-600)1497012-0 0097-8485 nnns volume:12 year:1988 number:3 pages:219-227 http://linkinghub.elsevier.com/retrieve/pii/0097-8485(88)85020-4 GBV_USEFLAG_H ZDB-1-SDJ GBV_NL_ARTICLE AR 12 1988 3 219-227 |
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(DE-627)NLEJ174738099 (DE-599)GBVNLZ174738099 DE-627 ger DE-627 rakwb eng The computation of the distance matrix and the Wiener index for graphs of arbitrary complexity with weighted vertices and edges 1988 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier The distance matrix of a molecule contains the number of chemical bonds traversed on the shortest paths along chemical bonds in the molecule for each pair of atoms which can be formed among the atoms in the molecule. An algorithm for the computation of the distance matrix of molecular structures of arbitrary complexity is presented for the general case in which the chemical bonds differ in their ''lengths''.The so-called topological indices are widely used in searches for empirical structure-property and/or structure-activity relationships. Several of the topological indices currently in use can be computed from the distance matrix, although for special types of molecular structures more efficient recursive procedures have been developed. Elsevier Journal Backfiles on ScienceDirect 1907 - 2002 Senn, P. oth in Computers and Chemistry Amsterdam : Elsevier 12(1988), 3, Seite 219-227 (DE-627)NLEJ174733593 (DE-600)1497012-0 0097-8485 nnns volume:12 year:1988 number:3 pages:219-227 http://linkinghub.elsevier.com/retrieve/pii/0097-8485(88)85020-4 GBV_USEFLAG_H ZDB-1-SDJ GBV_NL_ARTICLE AR 12 1988 3 219-227 |
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The computation of the distance matrix and the Wiener index for graphs of arbitrary complexity with weighted vertices and edges |
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The distance matrix of a molecule contains the number of chemical bonds traversed on the shortest paths along chemical bonds in the molecule for each pair of atoms which can be formed among the atoms in the molecule. An algorithm for the computation of the distance matrix of molecular structures of arbitrary complexity is presented for the general case in which the chemical bonds differ in their ''lengths''.The so-called topological indices are widely used in searches for empirical structure-property and/or structure-activity relationships. Several of the topological indices currently in use can be computed from the distance matrix, although for special types of molecular structures more efficient recursive procedures have been developed. |
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The distance matrix of a molecule contains the number of chemical bonds traversed on the shortest paths along chemical bonds in the molecule for each pair of atoms which can be formed among the atoms in the molecule. An algorithm for the computation of the distance matrix of molecular structures of arbitrary complexity is presented for the general case in which the chemical bonds differ in their ''lengths''.The so-called topological indices are widely used in searches for empirical structure-property and/or structure-activity relationships. Several of the topological indices currently in use can be computed from the distance matrix, although for special types of molecular structures more efficient recursive procedures have been developed. |
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The distance matrix of a molecule contains the number of chemical bonds traversed on the shortest paths along chemical bonds in the molecule for each pair of atoms which can be formed among the atoms in the molecule. An algorithm for the computation of the distance matrix of molecular structures of arbitrary complexity is presented for the general case in which the chemical bonds differ in their ''lengths''.The so-called topological indices are widely used in searches for empirical structure-property and/or structure-activity relationships. Several of the topological indices currently in use can be computed from the distance matrix, although for special types of molecular structures more efficient recursive procedures have been developed. |
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