• Mathematics, Medicine, Computer Science
  • Published in
    Journal of Chemical…
    2002
  • DOI:10.1021/ci0203747

Classification of Some Active HIV-1 Protease Inhibitors and Their Inactive Analogues Using Some Uncorrelated Three-Dimensional Molecular Descriptors and a Fuzzy c-Means Algorithm

@article{Lin2002ClassificationOS,
  title={Classification of Some Active HIV-1 Protease Inhibitors and Their Inactive Analogues Using Some Uncorrelated Three-Dimensional Molecular Descriptors and a Fuzzy c-Means Algorithm},
  author={Thy-Hou Lin and Ging-Ming Wang and Yao-Hua Hsu},
  journal={Journal of chemical information and computer sciences},
  year={2002},
  volume={42 6},
  pages={
          1490-504
        }
}
A fuzzy c-means algorithm was used to classify some 3D convex hull descriptors computed for 345 active HIV-1 protease inhibitors collected from literature and 437 inactive analogues searched from the MDL/ISIS database. The number of descriptors used to represent each compound was from 4 to 8, and they were uncorrelated using the principal component analysis. These uncorrelated descriptors were then divided into two groups and classified by the fuzzy c-means algorithm. The classification… CONTINUE READING

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