The STUDIA UNIVERSITATIS BABEŞ-BOLYAI issue article summary

The summary of the selected article appears at the bottom of the page. In order to get back to the contents of the issue this article belongs to you have to access the link from the title. In order to see all the articles of the archive which have as author/co-author one of the authors mentioned below, you have to access the link from the author's name.

  
       
         
    STUDIA CHEMIA - Issue no. 1 / 2010  
         
  Article:   MODELING OF BIOLOGICALLY ACTIVE MOLECULAR STRUCTURES.

Authors:  ERIKA TASNADI, GABRIEL KATONA, MIRCEA V. DIUDEA. 		 
       
         
  Abstract:  In view of finding the best relationship between biological activity and structure using topological indices, a QSAR/QSPR study was performed on a set of 44 benzodiazepin-derivatives. In a similarity test, the highest scored structures were submitted to mono and multi linear regression analysis and the optimal model was drawn out. The activity of several newly designed by us structures, belonging to the same class of molecules, was predicted with the use of the title model.

Keywords: molecular modeling, biological activity, QSAR-QSPR
  
         
     
         
         
      Back to previous page