blueobelisk.github.io

Web Services

Below is a list of free web services for chemoinformatics. Using WDSL and SOAP these services can be integrated into programs, e.g. workflow systems, like Pipeline Pilot, Taverna, and KNIME, but in custom Java software too.

• http://wwmm.ch.cam.ac.uk/moin/WwmmWebService
• http://www.chembiogrid.org/wiki/index.php/Web_Service_Infrastructure Provides links to web services for
  • 2D structure diagrams
  • 3D coordinate generation
  • Molecular weight and formula
  • Tanimoto Similarity
  • Molecular descriptors
  • Fingerprints
  • Topological surface area
  • Statistical methods using R
  • Access to a PubChem mirror and PubChem derived databases
• http://wiki.cubic.uni-koeln.de/axis/servlet/AxisServlet