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QSPR study on the octanol/air partition coefficient of polybrominated diphenyl ethers by using molecular distance-edge vector index

Overview of attention for article published in BMC Chemistry, June 2014
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Title
QSPR study on the octanol/air partition coefficient of polybrominated diphenyl ethers by using molecular distance-edge vector index
Published in
BMC Chemistry, June 2014
DOI 10.1186/1752-153x-8-36
Pubmed ID
Authors

Long Jiao, Mingming Gao, Xiaofei Wang, Hua Li

Abstract

The quantitative structure property relationship (QSPR) for octanol/air partition coefficient (K OA) of polybrominated diphenyl ethers (PBDEs) was investigated. Molecular distance-edge vector (MDEV) index was used as the structural descriptor of PBDEs. The quantitative relationship between the MDEV index and the lgK OA of PBDEs was modeled by multivariate linear regression (MLR) and artificial neural network (ANN) respectively. Leave one out cross validation and external validation was carried out to assess the predictive ability of the developed models. The investigated 22 PBDEs were randomly split into two groups: Group I, which comprises 16 PBDEs, and Group II, which comprises 6 PBDEs.

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The data shown below were compiled from readership statistics for 9 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
Unknown 9 100%

Demographic breakdown

Readers by professional status Count As %
Student > Ph. D. Student 3 33%
Student > Master 2 22%
Researcher 2 22%
Professor 1 11%
Unknown 1 11%
Readers by discipline Count As %
Environmental Science 2 22%
Pharmacology, Toxicology and Pharmaceutical Science 1 11%
Chemistry 1 11%
Engineering 1 11%
Unknown 4 44%