Journal of the Chemical Society. Perkin transactions II p. 131 - 136 (1991)
Update date:2022-08-02
Topics:
Kato, Jun-ichi
Ito, Masato M.
Tsuyuki, Miho
Skimizu, Shoji
Kainami, Yoshikatsu
et al.
A new parameter (Sl) representing the three-dimensional shape similarity between groups is defined as the degree of a maximal overlap between a pair of groups located within a three-dimensional grid.S(l), which ranges from 0 to 1, has been calculated for 105 pairs of groups including straight-chain (C1-C6), branched (C4-C6), and cyclic alkyl groups, and a phenyl group.A close relationship has been found to exist between S(l) and (i) the degree of the discrimination between groups by a given group in the oxidation of a pair of associating thiols and (ii) relative biological activity (i. e., the effect on a cat blood pressure) of a homologous series of benzilic esters.
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