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JDCTA
2010

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

8 years 2 months ago
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.
Yuntao Zhang, Wenbin Dai, Zhengjun Cheng
Added 19 May 2011
Updated 19 May 2011
Type Journal
Year 2010
Where JDCTA
Authors Yuntao Zhang, Wenbin Dai, Zhengjun Cheng
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