Prediction of Flash Point Temperature of Pure Components Using a Quantitative Structure–Property Relationship Model

In this work, a general Quantitative Structure–Property Relationship (QSPR) model (R² = 0.9669 , Q_LOO² = 0.9663 , and 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.