CODESSA-Based Theoretical QSPR Model for Hydantoin HPLC-RT Lipophilicities

@article{Katritzky2001CODESSABasedTQ,
  title={CODESSA-Based Theoretical QSPR Model for Hydantoin HPLC-RT Lipophilicities},
  author={Alan R. Katritzky and Subbu Perumal and Ruslan Petrukhin and Erich Kleinpeter},
  journal={Journal of chemical information and computer sciences},
  year={2001},
  volume={41 3},
  pages={
          569-74
        }
}
A quantitative structure property relationship investigation was performed on the lipophilicities of a number of hydantoin derivatives as measured by the RP-HPLC retention times provided by Scholl et al. (Scholl, S.; Koch, A.; Henning, D.; Kempter, G.; Kleinpeter, E. Struct. Chem. 1999, 10, 355-366). The lipophilicities (S) were correlated with the theoretical molecular descriptors of the hydantoins obtained using the CODESSA program from the AM1-optimized geometry and electron wave functions… 
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