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|Type:||Artigo de periódico|
|Title:||Core electron binding energy (CEBE) shifts as descriptors in structure activity relationship (SAR) analysis of cytotoxicities of a series of simple phenols|
|Abstract:||Core electron binding energy shifts (DeltaCEBE's) of carbon atoms calculated with the semi empirical HAM/3 method were shown to serve as a useful descriptor for SAR analysis of cytotoxicities of a series of simple phenols. Using three selected DeltaCEBE's of carbon atoms in the phenyl ring of the compounds, the compounds were well separated by a pattern recognition method such as principal component analysis. (C) 2003 Elsevier B.V. All rights reserved.|
|Editor:||Elsevier Science Bv|
|Appears in Collections:||Unicamp - Artigos e Outros Documentos|
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