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Pakiet: r-bioc-fmcsr (1.36.0+dfsg-1)

GNU R mismatch tolerant maximum common substructure searching

The fmcsR package introduces an efficient maximum common substructure (MCS) algorithms combined with a novel matching strategy that allows for atom and/or bond mismatches in the substructures shared among two small molecules. The resulting flexible MCSs (FMCSs) are often larger than strict MCSs, resulting in the identification of more common features in their source structures, as well as a higher sensitivity in finding compounds with weak structural similarities. The fmcsR package provides several utilities to use the FMCS algorithm for pairwise compound comparisons, structure similarity searching and clustering.

Inne pakiety związane z r-bioc-fmcsr

  • wymaga
  • poleca
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  • sug: r-bioc-biocstyle
    standard styles for vignettes and other Bioconductor documents
  • sug: r-cran-knitr
    GNU R package for dynamic report generation using Literate Programming
  • sug: r-cran-rmarkdown
    convert R markdown documents into a variety of formats

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