module OpenTox module Algorithm class Fminer < OpenTox # Create a new dataset with BBRC features def self.create(training_dataset_uri) RestClient.post @@config[:services]["opentox-fminer"], :dataset_uri => training_dataset_uri end end class Similarity < OpenTox def self.tanimoto(dataset1,compound1,dataset2,compound2) RestClient.get File.join(@@config[:services]["opentox-dataset"], 'algorithm/tanimoto/dataset',dataset1.name,compound1.inchi,'dataset',dataset2.name,compound2.inchi) end def self.weighted_tanimoto(dataset1,compound1,dataset2,compound2) # URI.escape does not work here uri = File.join(@@config[:services]["opentox-dataset"], 'algorithm/weighted_tanimoto/dataset',CGI.escape(dataset1.name),'compound',CGI.escape(compound1.inchi),'dataset',CGI.escape(dataset2.name),'compound',CGI.escape(compound2.inchi)) RestClient.get uri end end class Lazar < OpenTox # Create a new prediction model from a dataset def initialize(params) @uri = RestClient.post @@config[:services]["opentox-lazar"] + 'models' , :dataset_uri => params[:dataset_uri] end end end end