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Prediction of blood:air and fat:air partition coefficients of volatile organic compounds for the interpretation of data in breath gas analysis

In this article, a database of blood:air and fat:air partition coefficients (λ(b:a) and λ(f:a)) is reported for estimating 1678 volatile organic compounds recently reported to appear in the volatilome of the healthy human. For this purpose, a quantitative structure-property relationship (QSPR) appro...

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Publicado en:J Breath Res
Autores principales: Kramer, Christian, Mochalski, Paweł, Unterkofler, Karl, Agapiou, Agapios, Ruzsanyi, Veronika, Liedl, Klaus R
Formato: Artigo
Lenguaje:Inglês
Publicado: 2016
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Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC4957668/
https://ncbi.nlm.nih.gov/pubmed/26815030
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1088/1752-7155/10/1/017103
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