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

نویسندگان

  • Yuntao Zhang
  • Wenbin Dai
  • Zhengjun Cheng
چکیده

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

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عنوان ژورنال:
  • JDCTA

دوره 4  شماره 

صفحات  -

تاریخ انتشار 2010