HYBRID MLR-ANN MODEL FOR PREDICTING HEAT OF VAPORIZATION OF PURE ORGANIC COMPOUNDS AT 298K

摘要

PURPOSE: A hybrid MLR-ANN model for predicting heat of vaporization of pure organic compounds is provided to improve prediction efficiency.;CONSTITUTION: A molecular descriptor value for predicting heat of vaporization of hydrocarbon series compounds at 298K is prepared. Experimental data is separated into a training group and testing group. The optimal MLRM(multiple linear regression model) for the training group is detected.;COPYRIGHT KIPO 2012