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

Regression model (regression)

Name	Type	n	R2	σ
Training set	training	937	0.945	15.716
Validation set	external validation	234	0.950	15.705

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. http://dx.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. http://dx.doi.org/10.1016/j.jhazmat.2009.03.083

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.
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.
URI:	http://hdl.handle.net/10967/196 http://dx.doi.org/10.15152/QDB.196
Date:	2017-05-11