Reverse fingerprinting, similarity searching by group fusion and fingerprint bit importance

  title={Reverse fingerprinting, similarity searching by group fusion and fingerprint bit importance},
  author={Chris M Williams},
  journal={Molecular Diversity},
Recent research has shown that using data fusion rules in fingerprint-based similarity searching can improve results over traditional searches. Group fusion scores, which use multiple reference compounds, have in particular been shown to be quite effective in increasing enrichment rates over single reference structure based searches. In this paper, the effectiveness of using data fusion with multiple reference compounds to increase similarity search recall rates was investigated using 44… CONTINUE READING


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