Development and Use of Hydrophobic Surface Area (HSA) Descriptors for Computer-Assisted Quantitative Structure-Activity and Structure-Property Relationship Studies

@article{Stanton2004DevelopmentAU,
  title={Development and Use of Hydrophobic Surface Area (HSA) Descriptors for Computer-Assisted Quantitative Structure-Activity and Structure-Property Relationship Studies},
  author={David T. Stanton and Brian E. Mattioni and James J. Knittel and Peter C. Jurs},
  journal={Journal of chemical information and computer sciences},
  year={2004},
  volume={44 3},
  pages={1010-23}
}
A new series of 25 whole-molecule molecular structure descriptors are proposed. The new descriptors are termed Hydrophobic Surface Area, or HSA descriptors, and are designed to capture information regarding the structural features responsible for hydrophobic and hydrophilic intermolecular interactions. The utility of the HSAs in capturing this type of… CONTINUE READING