/* * * YAQP - Yet Another QSAR Project: * Machine Learning algorithms designed for the prediction of toxicological * features of chemical compounds become available on the Web. Yaqp is developed * under OpenTox (http://opentox.org) which is an FP7-funded EU research project. * This project was developed at the Automatic Control Lab in the Chemical Engineering * School of National Technical University of Athens. Please read README for more * information. * * Copyright (C) 2009-2010 Pantelis Sopasakis & Charalampos Chomenides * * This program is free software: you can redistribute it and/or modify * it under the terms of the GNU General Public License as published by * the Free Software Foundation, either version 3 of the License, or * (at your option) any later version. * * This program is distributed in the hope that it will be useful, * but WITHOUT ANY WARRANTY; without even the implied warranty of * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the * GNU General Public License for more details. * * You should have received a copy of the GNU General Public License * along with this program. If not, see <http://www.gnu.org/licenses/>. * * Contact: * Pantelis Sopasakis * chvng@mail.ntua.gr * Address: Iroon Politechniou St. 9, Zografou, Athens Greece * tel. +30 210 7723236 */ package org.opentox.ontology.util.vocabulary; import com.hp.hpl.jena.datatypes.xsd.XSDDatatype; import java.util.HashMap; import java.util.Map; import org.opentox.ontology.util.AlgorithmParameter; /** * * @author Pantelis Sopasakis * @author Charalampos Chomenides */ public class ConstantParameters { public static final String kernel = "kernel", degree = "degree", cost = "cost", gamma = "gamma", coeff0 = "coeff0", tolerance = "tolerance", cacheSize = "cacheSize", epsilon = "epsilon", prediction_feature = "prediction_feature", dataset_uri="dataset_uri", attribure_type="attribute_type"; public static Map<String, AlgorithmParameter> SVCParams() { Map<String, AlgorithmParameter> map = new HashMap<String, AlgorithmParameter>(); map.put(kernel, new AlgorithmParameter<String>(XSDDatatype.XSDstring, "RBF", AlgorithmParameter.SCOPE.optional)); map.put(degree, new AlgorithmParameter<Integer>(XSDDatatype.XSDpositiveInteger, 3, AlgorithmParameter.SCOPE.optional)); map.put(cost, new AlgorithmParameter<Double>(XSDDatatype.XSDdouble, 100.0, AlgorithmParameter.SCOPE.optional)); map.put(gamma, new AlgorithmParameter<Double>(XSDDatatype.XSDdouble, 1.50, AlgorithmParameter.SCOPE.optional)); map.put(coeff0, new AlgorithmParameter<Double>(XSDDatatype.XSDdouble, 0.0, AlgorithmParameter.SCOPE.optional)); map.put(tolerance, new AlgorithmParameter<Double>(XSDDatatype.XSDdouble, 0.0001, AlgorithmParameter.SCOPE.optional)); map.put(cacheSize, new AlgorithmParameter<Integer>(XSDDatatype.XSDpositiveInteger, 250007, AlgorithmParameter.SCOPE.optional)); return map; } public static Map<String, AlgorithmParameter> SVMParams() { Map<String, AlgorithmParameter> map = new HashMap<String, AlgorithmParameter>(); map.putAll(SVCParams()); map.put(epsilon, new AlgorithmParameter<Double>(XSDDatatype.XSDdouble, 0.100, AlgorithmParameter.SCOPE.optional)); return map; } public static Map<String, AlgorithmParameter> CleanUpParams(){ Map<String, AlgorithmParameter> map = new HashMap<String, AlgorithmParameter>(); map.put(attribure_type, new AlgorithmParameter<String>(XSDDatatype.XSDstring, "string", AlgorithmParameter.SCOPE.optional)); return map; } }