Molecular similarity. 1. Analytical description of the set of graph similarity measures

Journal of Chemical Information and Computer Sciences

Volumn 38, Issue 5, 1998, Pages 785-790

  Skvortsova, Mariya I ^a   Baskin, Igor I ^a   Stankevich, Ivan V ^b   Palyulin, Vladimir A ^c   Zefirov, Nikolai S ^c  

^a N D ZELINSKY INSTITUTE OF ORGANIC CHEMISTRY   (Russian Federation)

^b A N NESMEYANOV INSTITUTE OF ORGANOELEMENT COMPOUNDS   (Russian Federation)

^c MOSCOW STATE UNIVERSITY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000618620     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci970037b     Document Type: Article

References (11)

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4. Ponec, R.; Strand, M. A novel approach to the characterization of molecular similarity. The 2nd order similarity index. Coll. Czech. Chem. Commun. 1990, 55, 896-902.
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10. Baskin, I. I.; Skvortsova, M. I.; Stankevich, I. V.; Zefirov, N. S. On the basis of invariants of labeled molecular graphs. J. Chem. Inf. Comput. Sci. 1995, 35, 527-531.
11. Gantmakher, F. R. The Theory of Matrices; GRFML: Moscow, 1967; pp 224-225.