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Relationship between molecular connectivity and carcinogenic activity: a confirmation with a new software program based on graph theory.

For a database of 826 chemicals tested for carcinogenicity, we fragmented the structural formula of the chemicals into all possible contiguous-atom fragments with size between two and eight (nonhydrogen) atoms. The fragmentation was obtained using a new software program based on graph theory. We use...

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Detalles Bibliográficos
Autores principales: Malacarne, D, Pesenti, R, Paolucci, M, Parodi, S
Formato: Texto
Lenguaje:English
Publicado: 1993
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1519819/
https://www.ncbi.nlm.nih.gov/pubmed/8275991