Current Mathematical Methods Used in QSAR/QSPR Studies

@article{Liu2009CurrentMM,
  title={Current Mathematical Methods Used in QSAR/QSPR Studies},
  author={Peixun Liu and Wei Long},
  journal={International Journal of Molecular Sciences},
  year={2009},
  volume={10},
  pages={1978 - 1998}
}
This paper gives an overview of the mathematical methods currently used in quantitative structure-activity/property relationship (QASR/QSPR) studies. Recently, the mathematical methods applied to the regression of QASR/QSPR models are developing very fast, and new methods, such as Gene Expression Programming (GEP), Project Pursuit Regression (PPR) and Local Lazy Regression (LLR) have appeared on the QASR/QSPR stage. At the same time, the earlier methods, including Multiple Linear Regression… CONTINUE READING
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