- recipe bioconductor-fmcsr
Mismatch Tolerant Maximum Common Substructure Searching
- Homepage:
- License:
Artistic-2.0
- Recipe:
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.
- package bioconductor-fmcsr¶
-
- Versions:
1.36.0-1
,1.36.0-0
,1.34.0-0
,1.32.0-1
,1.32.0-0
,1.30.0-0
,1.28.0-0
,1.26.0-1
,1.24.0-0
- Depends:
bioconductor-biocgenerics
>=0.40.0,<0.41.0
bioconductor-chemminer
>=3.46.0,<3.47.0
libblas
>=3.8.0,<4.0a0
libgcc-ng
>=10.3.0
liblapack
>=3.8.0,<4.0a0
libstdcxx-ng
>=10.3.0
r-base
>=4.1,<4.2.0a0
- Required By:
Installation
With an activated Bioconda channel (see set-up-channels), install with:
conda install bioconductor-fmcsr
and update with:
conda update bioconductor-fmcsr
or use the docker container:
docker pull quay.io/biocontainers/bioconductor-fmcsr:<tag>
(see bioconductor-fmcsr/tags for valid values for
<tag>
)
Download stats¶
Link to this page¶
Render an badge with the following MarkDown:
[](http://bioconda.github.io/recipes/bioconductor-fmcsr/README.html)