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[The use of pattern recognition for analysing the possible relation between molecular structure of polycyclic hydrocarbons and their carcinogenicity].

作者信息

Duquesne M, Sallantin J

出版信息

C R Seances Acad Sci III. 1981 Feb 16;292(7):495-8.

PMID:6786784
Abstract

Pattern recognition has been used for investigating the part played by the molecular structure of polycyclic hydrocarbons in their carcinogenic action. A series of molecules has been considered, whose physicochemical properties are known to be closely related to the number and location of their aromatic rings. From a pattern recognition program and two learning subsets (carcinogenic and non carcinogenic molecules), it has been shown that (i) the shape of the molecule is correlated with its carcinogenic power; (ii) an index of carcinogenicity can be estimated for any molecule in the considered set.

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