Chem. J. Chinese Universities ›› 1996, Vol. 17 ›› Issue (9): 1450.

• Articles • Previous Articles     Next Articles

Studies on Three-Dimensional Quantitative Structure-Activity Relationships Between the Structures of N-Nitroso Compounds and Their Carcinogenic Activities

LI Hua, XU Lu, SU Qiang   

  1. Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun, 130022
  • Received:1995-09-14 Online:1996-09-24 Published:1996-09-24

Abstract: Comparative molecular fiels analysis(CoMFA)has been applied to the studies of the correlation of the N-nitroso compounds and their carcinogenic activities.The comparison of CoMFAresults with different lattice spacing and different atom probes was investigated.CoMFAresulted in a quantitative description of the major steric and electrostatic field effects and gave significant new insights to factors governing potency.

Key words: D-QSAR, CoMFA, N-Nitroso compounds

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