3D-QSAR study of hallucinogenic phenylalkylamines by using CoMFA approach

  title={3D-QSAR study of hallucinogenic phenylalkylamines by using CoMFA approach},
  author={Zhuoyong Zhang and Liying An and Wen Xiang Hu and Yuhong Xiang},
  journal={Journal of Computer-Aided Molecular Design},
The three-dimensional quantitative structure–activity relationship (3D-QSAR) has been studied on 90 hallucinogenic phenylalkylamines by the comparative molecular field analysis (CoMFA). Two conformations were compared during the modeling. Conformation I referred to the amino group close to ring position 6 and conformation II related to the amino group trans to the phenyl ring. Satisfactory results were obtained by using both conformations. There were still differences between the two models… 
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    J. Comput. Aided Mol. Des.
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