QSPR Models for Predicting Log Pliver Values for Volatile Organic Compounds Combining Statistical Methods and Domain Knowledge
نویسندگان
چکیده
منابع مشابه
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, we present two new quantitative structure-property relationship (QSPR) models for the prediction...
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ژورنال
عنوان ژورنال: Molecules
سال: 2012
ISSN: 1420-3049
DOI: 10.3390/molecules171214937