Extended Set of Smallest Rings

Nevertheless, there are situations where one wants to work with six four-membered rings in cubane (e.g., when considering the symmetry of the ring system). In this situation, one adds a sixth four-membered ring to obtain firom the SSSR the so-called extended set of smallest rings (ESSR). [Pg.56]

ESSR = Extended Set of Smallest Rings —> ring descriptors... [Pg.294]

The maximal number of rings in the Extended Set of Smallest Rings (ESSR) is given by [Downs, Gillet et al., 1989a]... [Pg.655]

Downs, G.M., Gillet, V.J., Holliday, J.D. and Lynch, M. F. (1989b) Theoretical aspects of ring perception and development of the extended set of smallest rings concept./. Chem. Inf. Comput. Sci., 29, 187-206. [Pg.1026]

Downs, G.M. Gillet, V.J. Holliday J.D. Lynch, M.F. Computer Storage and Retrieval of Generic Chemical Structures in Patents. 9. An Algorithm To Find the Extended Set of Smallest Rings in Structurally Explicit Generics . J. Chem. Inf. Comput. Sci. 1989, 29, 207-214. [Pg.114]

To overcome these problems, the Extended Set of Smallest Rings (ESSR) was developed as part, of the research on the (Generic Structures Project at Sheffield University. The ESSR includes all simple-faces plus all primary and secondary cut-faces, as defined here it does not include regions or non-regions that are not simple-cycles, or non-regions that are classified as tertiary cut-faces. An algorithm to find the ESSR has been described. ... [Pg.216]

ESER = essential set of essential rings ESSR = extended set of smallest rings SER = set of elementary rings SSSR = smallest set of smallest rings. [Pg.2509]

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