Last data update: 2014.03.03

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Results 1 - 4 of 4 found.
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eiR : Accelerated similarity searching of small molecules

Package: eiR
Type: Package
Title: Accelerated similarity searching of small molecules
Version: 1.12.2
Date: 2016-01-04
Author: Kevin Horan, Yiqun Cao and Tyler Backman
Maintainer: Thomas Girke <thomas.girke@ucr.edu>
Suggests: RCurl, snow, BiocStyle, knitcitations, knitr, knitrBootstrap
Description: The eiR package provides utilities for accelerated
structure similarity searching of very large small molecule
data sets using an embedding and indexing approach.
License: Artistic-2.0
SystemRequirements: GSL (>=1.14) http://www.gnu.org/software/gsl/
Depends: R (>= 2.10.0), ChemmineR (>= 2.15.15), methods, DBI
Imports: snow, tools, snowfall, RUnit, methods, ChemmineR, RCurl,
digest, BiocGenerics
biocViews: Cheminformatics, BiomedicalInformatics, Pharmacogenetics,
Pharmacogenomics, MicrotitrePlateAssay, CellBasedAssays,
Visualization, Infrastructure, DataImport, Clustering,
Proteomics
URL: https://github.com/girke-lab/eiR
VignetteBuilder: knitr
LinkingTo: BH
NeedsCompilation: yes
Packaged: 2016-05-16 03:51:05 UTC; biocbuild

● Data Source: BioConductor
● BiocViews: BiomedicalInformatics, CellBasedAssays, Cheminformatics, Clustering, DataImport, Infrastructure, MicrotitrePlateAssay, Pharmacogenetics, Pharmacogenomics, Proteomics, Visualization
● 0 images, 10 functions, 1 datasets
● Reverse Depends: 0

ChemmineDrugs : DrugBank and DUD data sets

Package: ChemmineDrugs
Type: Package
Title: DrugBank and DUD data sets
Version: 1.0.0
Date: 2016-5-2
Author: Kevin Horan
Maintainer: Kevin Horan <khoran@cs.ucr.edu>
Suggests: BiocStyle, knitcitations, knitr
Description: An annotation package for use with ChemmineR.
This package includes data from DrugBank and DUD.
License: Artistic-2.0
Depends: R (>= 2.10.0), ChemmineR
Imports: BiocGenerics, RSQLite
VignetteBuilder: knitr
biocViews: AnnotationData, CustomDBSchema
NeedsCompilation: no
Packaged: 2016-05-26 21:17:41 UTC; biocbuild

● Data Source: BioConductor
● BiocViews: AnnotationData, CustomDBSchema
● 0 images, 1 functions, 0 datasets
● Reverse Depends: 0

PGPC : Experimental data and analysis of the chemical-genetic interaction screen in isogenic HCT116 cell lines

Package: PGPC
Type: Package
Title: Experimental data and analysis of the chemical-genetic
interaction screen in isogenic HCT116 cell lines
Version: 1.0.2
Author: Felix Klein
Maintainer: Felix Klein <felix.klein@embl.de>
Description: This package contains the experimental data and a vignette
guiding through the analysis of a chemical-genenetic
interaction screen in isogenic HCT116 cell lines. The code can
be executed to generate all results and figures for the
manuscript "A chemical-genetic interaction map of small molecules using
high-throughput imaging in cancer cells" accepted for publicaton at
Molecular Systems Biology. Data availability: Complementary views on
this dataset are available through different repositories. The image
data files are available from the BioStudies database at the European
Bioinformatics Institute (EMBL-EBI) under the accession S-BSMS-PGPC1
(http://wwwdev.ebi.ac.uk/biostudies/studies/S-BSMS-PGPC1)
An interactive front-end for exploration of the images is provided by
the IDR database http://dx.doi.org/10.17867/10000101.
The authors are hosting an interactive webpage to browse images and
interaction profiles at http://dedomena.embl.de/PGPC.
License: Artistic-2.0
LazyLoad: true
Depends: R (>= 3.0), EBImage, imageHTS, SearchTrees, limma,
RColorBrewer, gplots, splots, ggplot2, geneplotter, ChemmineR,
reshape2, plyr
VignetteBuilder: knitr
Suggests: BiocStyle, knitr
biocViews: CancerData, ColonCancerData, ExperimentData
NeedsCompilation: no
Packaged: 2016-05-28 15:50:08 UTC; biocbuild

● Data Source: BioConductor
● BiocViews: CancerData, ColonCancerData, ExperimentData
● 0 images, 6 functions, 4 datasets
● Reverse Depends: 0

fmcsR : Mismatch Tolerant Maximum Common Substructure Searching

Package: fmcsR
Type: Package
Title: Mismatch Tolerant Maximum Common Substructure Searching
Version: 1.14.2
Date: 2016-01-04
Author: Yan Wang, Tyler Backman, Kevin Horan, Thomas Girke
Maintainer: Thomas Girke <thomas.girke@ucr.edu>
Description: 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.
Depends: R (>= 2.10.0), ChemmineR, methods
Suggests: BiocStyle, knitr, knitcitations, knitrBootstrap
License: Artistic-2.0
LazyLoad: yes
URL: https://github.com/girke-lab/fmcsR
biocViews: Cheminformatics, BiomedicalInformatics, Pharmacogenetics,
Pharmacogenomics, MicrotitrePlateAssay, CellBasedAssays,
Visualization, Infrastructure, DataImport, Clustering,
Proteomics
Imports: RUnit, methods, ChemmineR, BiocGenerics, parallel
VignetteBuilder: knitr
NeedsCompilation: yes
Packaged: 2016-05-16 03:34:46 UTC; biocbuild

● Data Source: BioConductor
● BiocViews: BiomedicalInformatics, CellBasedAssays, Cheminformatics, Clustering, DataImport, Infrastructure, MicrotitrePlateAssay, Pharmacogenetics, Pharmacogenomics, Proteomics, Visualization
3 images, 6 functions, 1 datasets
Reverse Depends: 1