ToxOtis

ToxOtis is a Java interface to the predictive toxicology services of OpenTox. ToxOtis is being developed to help both those who need a painless way to consume OpenTox web services and for ambitious service providers that don't want to spend half of their time in RDF parsing and creation, database management and security measures.

You can use ToxOtis to search in databases with chemical compounds, download a compound in any supported MIME type (e.g. SDF, SMILES, MOL etc), find a property for a compound (e.g. its LD50 lethal dose concentration), publish your chemicals in an online database, train QSAR models (regression, classification, clustering etc) and lots of other functionalities. Incorporation of ToxOtis into your services will relieve you from the labour of creating RDF documents. Documentation including lots of examples an be found also on-line.

 

Important Links:

  1. The ToxOtis Wiki and ToxOtis javadoc.
  2. Our NEW NEXUS repository and the AMBIT NEXUS repository where the latest as well as older versions of ToxOtis can be found.
  3. Github repository - for developers.