Gharagheizi, F. Prediction of upper flammability limit percent of pure compounds from their molecular structures. J. Hazard. Mater. 2009, 167, 507–510.

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Gharagheizi, F. Prediction of upper flammability limit percent of pure compounds from their molecular structures. J. Hazard. Mater. 2009, 167, 507–510.

QDB archive DOI: 10.15152/QDB.197   DOWNLOAD

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Property UFLP: Upper flammability limit percent [%]

Eq.1: Model for diverse and pure compounds

Regression model (regression)

Open in:QDB ExplorerQDB Predictor

NameTypen

R2

σ

Training settraining6930.9191.047
Validation setexternal validation1720.9261.181

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dc.date.accessioned2017-05-16T12:58:43Z
dc.date.available2017-05-16T12:58:43Z
dc.date.issued2017-05-16
dc.identifier.urihttp://hdl.handle.net/10967/197
dc.identifier.urihttp://dx.doi.org/10.15152/QDB.197
dc.description.abstractIn this study, a quantitative structure–property relationship (QSPR) is presented to predict the upper flammability limit percent (UFLP) of pure compounds. The obtained model is a five parameters multi-linear equation. The parameters of the model are calculated only from chemical structure. The average absolute error and squared correlation coefficient of the obtained model over all 865 pure compounds used to develop the model are 9.7%, and 0.92, respectively.
dc.publisherGeven Piir
dc.publisherSulev Sild
dc.rightsAttribution 4.0 International*
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/*
dc.titleGharagheizi, F. Prediction of upper flammability limit percent of pure compounds from their molecular structures. J. Hazard. Mater. 2009, 167, 507–510.
qdb.property.endpoint1. Physical Chemical Properties 1.20. Flammabilityen_US
qdb.descriptor.applicationDRAGON 5.4en_US
bibtex.entryarticleen_US
bibtex.entry.authorGharagheizi, F.
bibtex.entry.doi10.1016/j.jhazmat.2009.01.002en_US
bibtex.entry.journalJ. Hazard. Mater.en_US
bibtex.entry.monthAug
bibtex.entry.number1-3en_US
bibtex.entry.pages507–510en_US
bibtex.entry.titlePrediction of upper flammability limit percent of pure compounds from their molecular structuresen_US
bibtex.entry.volume167en_US
bibtex.entry.year2009
qdb.model.typeRegression model (regression)en_US


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