AbstractIn this work, a general Quantitative Structure–Property Relationship (QSPR) model ($\rm{ R^2 = 0.9669}$, $\rm{ Q_{{\rm{LOO}}}^{\rm{2}} = 0.9663}$, and $\rm{ s = 12.691}$) for the prediction of flash points of 1030 pure compounds is developed. Genetic Algorithm‐based Multivariate Linear Regression (GA‐MLR) technique is used to select four chemical structure‐based molecular descriptors from a pool containing 1664 molecular descriptors.