A Comparison between the Two General Sets of Linear Free Energy Descriptors of Abraham and Klamt

@article{Zissimos2002ACB,
  title={A Comparison between the Two General Sets of Linear Free Energy Descriptors of Abraham and Klamt},
  author={Andreas M. Zissimos and Michael H. Abraham and Andreas Klamt and Frank Eckert and John Wood},
  journal={Journal of chemical information and computer sciences},
  year={2002},
  volume={42 6},
  pages={1320-31}
}
Two sets of molecular descriptors, the five experimental Abraham, and the five COSMOments of Klamt's COSMO-RS, have been compared for a data set of 470 compounds. Both sets are considered as almost complete sets of LFER. The two sets of descriptors are shown to exhibit a large overlap as far as their chemical content. The chemical information however is distributed differently in each set with the Abraham set incorporating extra information in the excess molar refraction descriptor E… CONTINUE READING