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QSPR Models for Predicting Log P(liver) Values for Volatile Organic Compounds Combining Statistical Methods and Domain Knowledge

Volatile organic compounds (VOCs) are contained in a variety of chemicals that can be found in household products and may have undesirable effects on health. Thereby, it is important to model blood-to-liver partition coefficients (log P(liver)) for VOCs in a fast and inexpensive way. In this paper,...

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Detalhes bibliográficos
Publicado no:Molecules
Main Authors: Palomba, Damián, Martínez, María J., Ponzoni, Ignacio, Díaz, Mónica F., Vazquez, Gustavo E., Soto, Axel J.
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI 2012
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6268846/
https://ncbi.nlm.nih.gov/pubmed/23247367
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules171214937
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