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Zhang, C.; Feng, L.; Wei, J. Predicting partitioning of volatile organic compounds from air into plant cuticular matrix by quantum chemical descriptors. Chin. Sci. Bull. 2002, 47, 1270.

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Zhang, C.; Feng, L.; Wei, J. Predicting partitioning of volatile organic compounds from air into plant cuticular matrix by quantum chemical descriptors. Chin. Sci. Bull. 2002, 47, 1270.

QDB archive DOI: 10.15152/QDB.190   DOWNLOAD

QsarDB content

Property logKMXa: Cuticular polymer matrix/air partition coefficient as logKMXa

Compounds: 36 | Models: 1 | Predictions: 1

Eq.5: Model for volatile organic compounds

Regression model (regression)

Open in:QDB Explorer QDB Predictor

Name Type n

R2

σ

Training set training 36 0.929 0.150

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dc.date.accessioned 2017-03-23T13:39:02Z
dc.date.available 2017-03-23T13:39:02Z
dc.date.issued 2017-03-23
dc.identifier.uri http://hdl.handle.net/10967/190
dc.identifier.uri http://dx.doi.org/10.15152/QDB.190
dc.description.abstract Based on theoretical linear solvation energy relationship and quantum chemical descriptors computed by AM1 Hamiltonian, a new model is developed to predict the partitioning of some volatile organic compounds between the plant cuticular matrix and air.
dc.publisher Geven Piir
dc.rights Attribution 4.0 International *
dc.rights.uri http://creativecommons.org/licenses/by/4.0/ *
dc.title Zhang, C.; Feng, L.; Wei, J. Predicting partitioning of volatile organic compounds from air into plant cuticular matrix by quantum chemical descriptors. Chin. Sci. Bull. 2002, 47, 1270.
qdb.property.endpoint 2. Environmental fate parameters 2.10. Vegetation-air partition coefficient en_US
qdb.property.species Lycopersicon esculentum en_US
qdb.descriptor.application MOPAC 97 en_US
qdb.prediction.application SPSS 10.0 en_US
bibtex.entry article en_US
bibtex.entry.author Zhang, C.
bibtex.entry.author Feng, L.
bibtex.entry.author Wei, J.
bibtex.entry.doi 10.1360/02tb9281 en_US
bibtex.entry.journal Chin. Sci. Bull. en_US
bibtex.entry.number 15 en_US
bibtex.entry.pages 1270 en_US
bibtex.entry.title Predicting partitioning of volatile organic compounds from air into plant cuticular matrix by quantum chemical descriptors en_US
bibtex.entry.volume 47 en_US
bibtex.entry.year 2002
qdb.model.type Regression model (regression) en_US


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