Quantitative Structure−Property Relationship for Prediction of the Lower Flammability Limit of Pure Compounds

A quantitative structure−property relationship (QSPR) study was performed to develop a model for prediction of the lower flammability limit (LFL) of pure compounds. The obtained model is a four-parameter multilinear equation. These four parameters are calculated from the chemical structure of every molecule. The average absolute error, squared correlation coefficient, and root mean squares of error of the obtained model over all 1056 pure compounds used to develop the model are 7.68%, 0.9698, and 0.084, respectively