Application of Belief Theory to Similarity Data Fusion for Use in Analog Searching and Lead Hopping

@article{Muchmore2008ApplicationOB,
  title={Application of Belief Theory to Similarity Data Fusion for Use in Analog Searching and Lead Hopping},
  author={Steven W. Muchmore and Derek A. Debe and James T. Metz and Scott P. Brown and Yvonne C. Martin and Philip J. Hajduk},
  journal={Journal of chemical information and modeling},
  year={2008},
  volume={48 5},
  pages={941-8}
}
A wide variety of computational algorithms have been developed that strive to capture the chemical similarity between two compounds for use in virtual screening and lead discovery. One limitation of such approaches is that, while a returned similarity value reflects the perceived degree of relatedness between any two compounds, there is no direct correlation between this value and the expectation or confidence that any two molecules will in fact be equally active. A lack of a common framework… CONTINUE READING
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