Graph Theoretical Descriptors of Two-Dimensional Chirality with Possible Extension to Three-Dimensional Chirality

@article{Randic2001GraphTD,
  title={Graph Theoretical Descriptors of Two-Dimensional Chirality with Possible Extension to Three-Dimensional Chirality},
  author={Milan Randic},
  journal={Journal of chemical information and computer sciences},
  year={2001},
  volume={41 3},
  pages={639-49}
}
We report on construction of a graph theoretical descriptor of chirality for two-dimensional benzenoid hydrocarbons. For achiral molecules the index is zero, while for chiral molecules it takes a positive or negative value for a molecule and one for its mirror image. Hence, we also have obtained a descriptor that measures chirality on an absolute scale, i.e., it assigns to a molecule a positive (or a negative) value without ever requiring information on the enantiomer of the molecule considered… CONTINUE READING