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opentox-ruby
============
Ruby wrapper for the [OpenTox](http://www.opentox.org) REST API
Installation
------------
opentox-ruby depends on many third party programs and libraries, which makes the setup complicated and error prone. For this reason we recommend to use the installer from [opentox-install](http://github.com/opentox/opentox-install). If you want to install manually you can find the necessary steps in the installation scripts.
Quickstart
----------
This example shows how to create a lazar model and predict a compound, it assumes that you have access to a working installation of OpenTox services with corresponding settings in $HOME/.opentox/config. Run the following code in irb or from a ruby script:
require 'rubygems'
require 'opentox-ruby'
# Authenticate
subjectid = OpenTox::Authorization.authenticate(USER,PASSWORD)
# Upload a dataset
training_dataset = OpenTox::Dataset.create_from_csv_file(TRAINING_DATASET, subjectid)
# Create a prediction model
model_uri = OpenTox::Algorithm::Lazar.new.run({:dataset_uri => training_dataset.uri, :subjectid => subjectid}).to_s
lazar = OpenTox::Model::Lazar.find model_uri, subjectid
# Predict a compound
compound = OpenTox::Compound.from_smiles("c1ccccc1NN")
prediction_uri = lazar.run(:compound_uri => compound.uri, :subjectid => subjectid)
prediction = OpenTox::LazarPrediction.find(prediction_uri, subjectid)
puts prediction.to_yaml
[API documentation](http://rdoc.info/gems/opentox-ruby/1.0.0/frames)
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Copyright
---------
Copyright (c) 2009-2011 Christoph Helma, Martin Guetlein, Micha Rautenberg, Andreas Maunz, David Vorgrimmler, Denis Gebele. See LICENSE for details.
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