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[pdf] from imist.ma modeling of some cyclic peroxy ketals for their antimalarial activities

  • Authors Details :  
  • Shweta Sharma,  
  • K Anita,  
  • Vk Agrawal Agrawal,  
  • Sarita Shrivastav

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In this work a set of some cyclic peroxy ketals were tested for their antimalarial activities. Quantitative structure activity relationship (QSAR) analysis was applied to 20 organic compounds of the above mentioned derivatives using Physicochemical, informational and 2D-autocorelation parameters and modeled their antimalarial activity (logIC 50) values. The multiple regression analysis clearly indicates that 5 BIC, 1 IC, MATS4v and ST parameters yielded the best model having R 2 value of 0.9515. The predictive powers of the models were explained using LOO (Leave-One-Out) Cross validation procedure. The results are also discussed on the basis of ridge regression.

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