QSAR validation

After several weeks of silence, we have another proposal about QSAR validation [1], based on mean absolute error (MAE) and its standard deviation. And this article [2] is a starting point for further lecture, if it is not known for the reader (more than 1800 citations).

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References

  1. K. Roy, R.N. Das, P. Ambure, and R.B. Aher, "Be aware of error measures. Further studies on validation of predictive QSAR models", Chemometrics and Intelligent Laboratory Systems, vol. 152, pp. 18-33, 2016. http://dx.doi.org/10.1016/j.chemolab.2016.01.008
  2. A. Golbraikh, and A. Tropsha, "Beware of q2!", Journal of Molecular Graphics and Modelling, vol. 20, pp. 269-276, 2002. http://dx.doi.org/10.1016/S1093-3263(01)00123-1

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