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# CITATION file created with {cffr} R package
# See also: https://docs.ropensci.org/cffr/
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cff-version: 1.2.0
message: 'To cite package "fmcsR" in publications use:'
type: software
license: Artistic-2.0
title: 'fmcsR: Mismatch Tolerant Maximum Common Substructure Searching'
version: 1.47.1
doi: 10.1093/bioinformatics/btt475
identifiers:
- type: doi
  value: 10.32614/CRAN.package.fmcsR
abstract: 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.
authors:
- family-names: Girke
  given-names: Thomas
  email: thomas.girke@ucr.edu
- family-names: Wang
  given-names: Yan
- family-names: Backman
  given-names: Tyler
- family-names: Horan
  given-names: Kevin
preferred-citation:
  type: article
  title: 'fmcsR: mismatch tolerant maximum common substructure searching in R'
  authors:
  - family-names: Wang
    given-names: Yan
  - family-names: Backman
    given-names: Tyler W. H.
  - family-names: Horan
    given-names: Kevin
  - family-names: Girke
    given-names: Thomas
    email: thomas.girke@ucr.edu
  volume: '29'
  issn: 1367-4811
  url: http://dx.doi.org/10.1093/bioinformatics/btt475
  doi: 10.1093/bioinformatics/btt475
  issue: '21'
  journal: Bioinformatics
  publisher:
    name: Oxford University Press (OUP)
  year: '2013'
  month: '8'
  start: 2792–2794
repository: https://bioc.r-universe.dev
repository-code: https://github.com/girke-lab/fmcsR
commit: 691a4369649ac4e4728143f0ddbad146d7365ac1
url: https://github.com/girke-lab/fmcsR
date-released: '2024-09-26'
contact:
- family-names: Girke
  given-names: Thomas
  email: thomas.girke@ucr.edu