Estimating the Octanol/Water Partition Coefficient for Aliphatic Organic Compounds Using Semi-Empirical Electrotopological Index

A new possibility for estimating the octanol/water coefficient (log P) was investigated using only one descriptor, the semi-empirical electrotopological index (I(SET)). The predictability of four octanol/water partition coefficient (log P) calculation models was compared using a set of 131 aliphatic...

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Autores principales: Souza, Erica Silva, Zaramello, Laize, Kuhnen, Carlos Alberto, Junkes, Berenice da Silva, Yunes, Rosendo Augusto, Heinzen, Vilma Edite Fonseca
Formato: Artigo
Lenguaje:Inglês
Publicado: Molecular Diversity Preservation International (MDPI) 2011
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Article
Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC3211036/
https://ncbi.nlm.nih.gov/pubmed/22072945
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ijms12107250
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