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bioassayr

Cross-target analysis of small molecule bioactivity - This is the official development repository

cellwall

Cell Wall Navigator (CWN)

chemmine-ei

chemmineob

OpenBabel wrapper package for R

chemmineob-release

bioconductor 2.14

chemminer

Cheminformatics Toolkit for R

chemminer-git-svn-bridge

This is defunct, now replaced with https://github.com/girke-lab/ChemmineR

chemminer-release

bioconductor version 3.1

chemminetools

ChemMine Tools: open source web framework for small molecule analysis

chemminetools-docs

customcmpdb

Query and customization interface for compound annotation database from DrugAge, DrugBank, CMAP02 and LINCS databases. It also stores the structure SDF datasets for compounds in the above four databases.

cybersam

Development of a Genome-Scale Cell Type-Specific Gene Expression Map

drugbankr

R package for querying the DrugBank database in batch locally

drugs

Compound databases for use with ChemmineR

drugtargetinteractions

eir

Accelerated similarity searching of small molecules (bioconductor package)

eir-release

bioconductor version 3.1

fmcsr

Mismatch Tolerant Maximum Common Substructure Searching

fmcsr-release

bioconductor version 2.14

gcd

The Genome Cluster Database

signaturesearch

R/Bioconductor package including the Gene Expression Signature Search (GESS), Function Enrichment Analysis (FEA) methods and supporting drug-target network construction for visualization

signaturesearchdata

Reference datasets used by the associated signatureSearch software package

subhmmweb

Sub-HMM data and tools

targetselectivity

Code to supplement "Large-scale bioactivity analysis of the small-molecule assayed proteome"

test-tgirke

test-tgirke created by GitHub Classroom