QSAR study of IKKβ inhibitors by the genetic algorithm: multiple linear regressions

  title={QSAR study of IKKβ inhibitors by the genetic algorithm: multiple linear regressions},
  author={Eslam Pourbasheer and Reza Aalizadeh and Mohammad Reza Ganjali and Parviz Norouzi},
  journal={Medicinal Chemistry Research},
A linear quantitative structure–activity relationship (QSAR) model is presented for modeling and predicting of the IKKβ inhibitory activities. A data set containing 62 IKKβ inhibitors with known inhibitory activities was used. The whole data set was divided into a training set and a test set on the basis of K-means clustering technique. Multiple linear regressions (MLR) were employed to model the relationships between molecular descriptors and biological activity of molecules using the genetic… CONTINUE READING


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