The generation of molecular graphs with obligatory, forbidden, and desirable fragments

Match

Volumn 37, Issue , 1998, Pages 157-162

  Molodtsov, Sergey G ^a  

^a N N VOROZHTSOV NOVOSIBIRSK INSTITUTE OF ORGANIC CHEMISTRY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0041182424     PISSN: 03406253     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (7)

1. S. G. Molodtsov, Computer-Aided Generation of Molecular Graphs, MATCH, 30 (1994), 213-224.
2. S. G. Molodtsov, Generation of Molecular Graphs with a Given Set of Nonoverlapping Fragments, MATCH, 30 (1994), 203-212.
3. R. E. Carhart, D. H. Smith, N. A. B. Gray, J. G. Nourse and C. Djerassi, GENOA: A Computer Program for Structure Elucidation Utilizing Overlapping and Alternative Substructures, J. Org. Chem., 46 (1981), 1708-1718.
4. B. D. Christie and M. E. Munk, Structure Generation by Reduction: A New Strategy for Computer-Assisted Structure Elucidation, J. Chem. Inf. Comput. Sci., 28 (1988), 87-93.
5. F. Harary, Graph Theory, Addison-Wesley, 1969.
6. A. Lingas, Certain Algorithms for Subgraph Isomorphism Problems, Lect. Notes Comp. Sci., 112 (1981), 290-307.
7. V. N. Piottukh-Peletskii, B. G. Derendyaev, S. G. Molodtsov and T. F. Bogdanova, Complete sets of fragment compositions of structures for IR spectrum interpretation using a database. 4. Forming the most probable hypothesis about the structure of the unknown. J. Struc. Chem., 38 (1997), 657-665.