Issues in representation of molecular structure the development of molecular connectivity.

@article{Hall2001IssuesIR,
  title={Issues in representation of molecular structure the development of molecular connectivity.},
  author={Lowell H. Hall and Lemont B. Kier},
  journal={Journal of molecular graphics & modelling},
  year={2001},
  volume={20 1},
  pages={4-18}
}
Significant issues in the representation of molecular structure and the development of the molecular connectivity paradigm are presented. In the molecular connectivity paradigm, molecular structure is represented directly. Kier and Hall developed the method by creating ways to encode electronic information based on the paradigm developed from the Randić branching index. The simple and valence delta values were created to encode atomic and valence-state electronic information through counts of… CONTINUE READING

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