Saturday, 6 June 2015

JAQPOT: A predictive toxicology platform

JAQPOT Quattro is a predictive toxicology platform on the web which combines machine learning, cheminformatics, linked data and web technologies with the OpenTox and eNanomapper APIs to deliver a generic and interoperable solution for drug discovery. JAQPOT Quattro acts as a computational backend which can be used by user interfaces to provide access to QSAR and other functionality. At the same time, it can be used as a backend for developers and data scientists to perform computations and experiment will data that are available on the web.

Short history

JAQPOT Quattro (Just Another Qsar Project of OpenTox) took its first infantile steps as YAQP (Yet Another Qsar Project) back in 2009, but it soon gave birth to JAQPOT and JAQPOT3. These projects had focused on implementing machine learning algorithms for predictive toxicology purposes based on the OpenTox API.

About

Using the JAQPOT Quattro API (which is based on the OpenTox and eNanoMapper APIs).

New Features

JAQPOT Quattro is now being implemented under the EU-funded research project eNanoMapper, but adheres to the principles developed in the OpenTox project. Many things are new since JAQPOT3 - here is a list of the new features:
  1. Clients can now create/access/delete datasets,
  2. Clients can now create/access/delete features,
  3. A new resource has been introduced: PMML documents. Clients can create, delete and access PMML documents (XML) which define feature transformations. These resources can then be used with model training to define models which use arbitrary transformations of the input space,
  4. Clients can create algorithms: using the JAQPOT Protocol for Data Interchange (JPDI - currently version 1.2), clients can implement and register algorithms on the fly!
  5. Additional features for the system administrators,
  6. JAQPOT Quattro has a brand new logo,
  7. A web-based user interface is being developed,
  8. The PATCH HTTP-method is used to allow clients to modify resources using the JSON Patch specification (RFC 6902).
What is more, we have now migrated to new technologies:
  1. Wildfly server,
  2. Mongodb,
  3. ElasticSearch,
  4. Swagger-based API documentation (Take a look at the Swagger interface of JAQPOT Quattro).
What has not changed: JAQPOT Quattro remains fully open-source and free. You can use it online or download it, install it and run it as a web service on your local machine.

Useful links

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