Abstract: In this paper, quantitative structure property relationship (QSPR) models have been developed to predict flash points for some common alcohols based on a data set of 151 components. With the use of the genetic function approximation (GFA) approach, four descriptors have been selected from a set of more than 1000 molecular descriptors. These selected descriptors ...

Abstract: Radial basis function (RBF) neural network models for the simultaneous estimation of flash point (Tf) and boiling point (Tb) based on 25 molecular functional groups and their first-order molecular connectivity index (1χ) have been developed. The success of the whole modeling process depended on a network optimization strategy based on biharmonic spline ...