Metabolomics

 MetaboAnalyst - is a web server designed to permit comprehensive metabolomic data analysis, visualization and interpretation. It supports a wide range of complex statistical calculations and high quality graphical rendering functions that require significant computational resources.  (Reference: J.Xia et al. 2015. Nucl. Acids Res. 43 (W1): W251-W257).

 Workflow4Metabolomics 2.0 - is the first fully open-source and collaborative online platform for computational metabolomics. W4M is a virtual research environment built upon the Galaxy web-based platform technology. It enables ergonomic integration, exchange and running of individual modules and workflows. Alternatively, the whole W4M framework and computational tools can be downloaded as a virtual machine for local installation. (Reference: Giacomoni F et al. 2015. Bioinformatics 31:1493-1495).

 XenoSite Metabolism Prediction Web Server - Cytochrome P450s are metabolic enzymes that process the majority of FDA-approved, small-molecule drugs.  XenoSite predicts which atomic sites of a molecule (sites of metabolism) are modified by P450s. XenoSite server accepts input in common chemical file formats including SDF and SMILES and provides tools for visualizing the likelihood that each atomic site is a site of metabolism for a variety of important P450s.  (Reference: Matlock MK et al. 2015. Bioinformatics. 31:1136-1137).