MetaPath is a tool for the analysis of metabolic pathways and associated visualization of experimental data. Built on the MetaCyc database, it provides an interactive map in which multiple pathways can be simultaneously visualized. Multiple annotations from the MetaCyc database are available, including synonyms, associated reactions and pathways, and database unification links. Metabolomics change data can be imported via simple CSV formats for visualization on targeted pathways. Pathways can be mined and removed algorithmically to identify key regulated pathways within a given dataset, providing a simper route to metabolic functions.
SHOGUN is a machine learning toolbox whose focus is on large scale kernel methods and especially on Support Vector Machines (SVM). It provides a generic SVM object interfacing to several different SVM implementations, all making use of the same underlying, efficient kernel implementations. Apart from SVMs and regression, SHOGUN also features a number of linear methods like Linear Discriminant Analysis (LDA), Linear Programming Machine (LPM), (Kernel) Perceptrons, and algorithms to train hidden Markov models. SHOGUN can be used from within C++, Matlab, R, Octave, and Python.
The massXpert software package is a mass spectrometry environment for linear (bio-)polymers. It inherits all the innovations of GNU polyxmass. It allows the detailed definition of new polymer chemistries in the XpertDef module. These chemistry definitions are then used in the desktop calculator-like mass calculator (XpertCalc) and in the sophisticated polymer sequence editor and (bio-)chemical/mass spectrometric simulations module (XpertEdit). Available simulations include polymer and monomer chemical modifications, polymer sequence cleavage, gas-phase fragmentation, m/z ratio calculations, and more.
Renal Growth is a tool for radiologists and paediatricians to plot renal length and volume measurements against nomograms for age and weight. It allows for multiple observations from birth to 13 years. Individual patient data files can be stored and reused. Length and volume charts can be exported as JPEG files for importing into a PACS system or other clinical record.