New Approach by Kriging Models to Problems in QSAR

  title={New Approach by Kriging Models to Problems in QSAR},
  author={Kai-Tai Fang and Hong Yin and Yi-Zeng Liang},
  journal={Journal of chemical information and computer sciences},
  volume={44 6},
Most models in quantitative structure and activity relationship (QSAR) research, proposed by various techniques such as ordinary least squares regression, principal components regression, partial least squares regression, and multivariate adaptive regression splines, involve a linear parametric part and a random error part. The random errors in those models are assumed to be independently identical distributed. However, the independence assumption is not reasonable in many cases. Some… CONTINUE READING