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

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

QsarDB content

Property UFLP: Upper ﬂammability limit percent [%]

865 Compounds

Eq.1: Model for diverse and pure compounds

Regression model (regression)

Open in:QDB Explorer QDB Predictor

Name	Type	n	R2	σ
Training set	training	693	0.919	1.047
Validation set	external validation	172	0.926	1.181

Citing

When using this QDB archive, please cite (see details) it together with the original article:

Piir, G.; Sild, S. Data for: Prediction of upper flammability limit percent of pure compounds from their molecular structures. QsarDB repository, QDB.197. 2017. https://doi.org/10.15152/QDB.197
Gharagheizi, F. Prediction of upper flammability limit percent of pure compounds from their molecular structures. J. Hazard. Mater. 2009, 167, 507–510. https://doi.org/10.1016/j.jhazmat.2009.01.002

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dc.date.accessioned	2017-05-16T12:58:43Z
dc.date.available	2017-05-16T12:58:43Z
dc.date.issued	2017-05-16
dc.identifier.uri	http://hdl.handle.net/10967/197
dc.identifier.uri	http://dx.doi.org/10.15152/QDB.197
dc.description.abstract	In 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.publisher	Geven Piir
dc.publisher	Sulev Sild
dc.rights	Attribution 4.0 International	*
dc.rights.uri	http://creativecommons.org/licenses/by/4.0/	*
dc.title	Gharagheizi, F. Prediction of upper flammability limit percent of pure compounds from their molecular structures. J. Hazard. Mater. 2009, 167, 507–510.
qdb.property.endpoint	1. Physical Chemical Properties 1.20. Flammability	en_US
qdb.descriptor.application	DRAGON 5.4	en_US
bibtex.entry	article	en_US
bibtex.entry.author	Gharagheizi, F.
bibtex.entry.doi	10.1016/j.jhazmat.2009.01.002	en_US
bibtex.entry.journal	J. Hazard. Mater.	en_US
bibtex.entry.month	Aug
bibtex.entry.number	1-3	en_US
bibtex.entry.pages	507–510	en_US
bibtex.entry.title	Prediction of upper flammability limit percent of pure compounds from their molecular structures	en_US
bibtex.entry.volume	167	en_US
bibtex.entry.year	2009
qdb.model.type	Regression model (regression)	en_US