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

Regression model (regression)

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

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. http://dx.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. http://dx.doi.org/10.1016/j.jhazmat.2009.01.002

Title:	Gharagheizi, F. Prediction of upper flammability limit percent of pure compounds from their molecular structures. J. Hazard. Mater. 2009, 167, 507–510.
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.
URI:	http://hdl.handle.net/10967/197 http://dx.doi.org/10.15152/QDB.197
Date:	2017-05-16