QSPR Study Of Mineral Crystal Lattice Energy Based On Gene Expression Programming

In this study, gene expression programming (GEP), a novel genetic algorithm, is used to develop quantitative model as potential screening mechanism for mineral crystal lattice energy for the first time. Eight descriptors, including ionic radius, charges, effective nuclear charges and principal quantum number, are selected to establish this model. A nonlinear quantitative structure-property relationship (QSPR) model based on GEP has been built and its predicted coefficient (R2 ) is 0.9912. This study has provided a new and effective method for the research of mineral crystal lattice energy.

• Type: Journal
• Year: 2010
• Where: JDCTA
• Authors: Yuntao Zhang, Wenbin Dai, Zhengjun Cheng
• Keywords: Crystal Lattice Energy, JDCTA 2010, Mineral Crystal Lattice, Nonlinear Quantitative Structure-property