net.sf.ciccgrid.frontend
Class ModelAmes

java.lang.Object
  net.sf.ciccgrid.frontend.ModelAmes

public class ModelAmes
extends java.lang.Object

Author:

rguha

Constructor Summary

ModelAmes()

Method Summary

java.lang.String[][]

getMutagenecityPrediction(java.lang.String[] smiles) Returns the predicted mutagenecity class for a set of SMILES strings using a RF model.

Methods inherited from class java.lang.Object

equals, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

ModelAmes

public ModelAmes()

Method Detail

getMutagenecityPrediction

public java.lang.String[][] getMutagenecityPrediction(java.lang.String[] smiles)
                                               throws net.sf.ciccgrid.RWebServiceException,
                                                      java.net.MalformedURLException,
                                                      java.rmi.RemoteException,
                                                      javax.xml.rpc.ServiceException,
                                                      org.rosuda.JRclient.RSrvException

Returns the predicted mutagenecity class for a set of SMILES strings using a RF model.

Based on AMES test data from Kazius et al.

Parameters:

smiles - An array of SMILES to predict

Returns:

A 2D String array, with the predictions in the rows. The first column contains the predicted class label (mutagen or nonmutagen) and the second column contains the fraction of votes that this label received.

Throws:

net.sf.ciccgrid.RWebServiceException

java.net.MalformedURLException

java.rmi.RemoteException

javax.xml.rpc.ServiceException

org.rosuda.JRclient.RSrvException