REPOSITORY QDB RESOURCES NEWS CONTACTS

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

QsarDB Repository

Zhang, C. 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

Citing

When using this data, please cite the original article and this QDB archive:

Metadata

Show simple item record

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. 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.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


Files in this item

Name Description Format Size View
2002CSB1270.qdb.zip Model for volatile organic compounds application/x-zip 7.468Kb View/Open
Files associated with this item are distributed
under Creative Commons license.

This item appears in the following Collection(s)

Show simple item record