Gharagheizi, F. A QSPR model for estimation of lower flammability limit temperature of pure compounds based on molecular structure. J. Hazard. Mater. 2009, 169, 217–220.

Gharagheizi, F. A QSPR model for estimation of lower flammability limit temperature of pure compounds based on molecular structure. J. Hazard. Mater. 2009, 169, 217–220.

QDB archive DOI: 10.15152/QDB.196 DOWNLOAD

QsarDB content

Property LFLT: Lower flammability limit temperature [K]

1171 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	937	0.945	15.716
Validation set	external validation	234	0.950	15.705

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

Piir, G.; Sild, S. Data for: A QSPR model for estimation of lower flammability limit temperature of pure compounds based on molecular structure. QsarDB repository, QDB.196. 2017. https://doi.org/10.15152/QDB.196
Gharagheizi, F. A QSPR model for estimation of lower flammability limit temperature of pure compounds based on molecular structure. J. Hazard. Mater. 2009, 169, 217–220. https://doi.org/10.1016/j.jhazmat.2009.03.083

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dc.date.accessioned	2017-05-11T11:39:17Z
dc.date.available	2017-05-11T11:39:17Z
dc.date.issued	2017-05-11
dc.identifier.uri	http://hdl.handle.net/10967/196
dc.identifier.uri	http://dx.doi.org/10.15152/QDB.196
dc.description.abstract	In this study, a quantitative structure–property relationship was presented to estimate lower flammability limit temperature (LFLT) of pure compounds. This relationship is a multi-linear equation and has six parameters. These chemical structure-based parameters were selected from 1664 molecular-based parameters by genetic algorithm multivariate linear regression (GA-MLR). Since 1171 compounds were used to develop this equation, the model can be used to estimate the LFLT of a wide range of pure compounds.
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. A QSPR model for estimation of lower flammability limit temperature of pure compounds based on molecular structure. J. Hazard. Mater. 2009, 169, 217–220.
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.2009.03.083	en_US
bibtex.entry.journal	J. Hazard. Mater.	en_US
bibtex.entry.month	Sep
bibtex.entry.number	1-3	en_US
bibtex.entry.pages	217–220	en_US
bibtex.entry.title	A QSPR model for estimation of lower flammability limit temperature of pure compounds based on molecular structure	en_US
bibtex.entry.volume	169	en_US
bibtex.entry.year	2009
qdb.model.type	Regression model (regression)	en_US