######################################################################## # Copyright OELIB: OpenEye Scientific Software, Santa Fe, # U.S.A., 1999,2000,2001 # Copyright JOELIB/JOELib2: Dept. Computer Architecture, University of # Tuebingen, Germany, 2001,2002,2003,2004,2005 # Copyright JOELIB/JOELib2: ALTANA PHARMA AG, Konstanz, Germany, # 2003,2004,2005 # # 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 version 2 of the License. # # 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. ######################################################################## ########## #HUSKOONEN ########## Entry_Number #logS_expected #melting_point #residue_huuskonen ########## #WANG ########## #predicted_logP #parameter1 #molecule_sum_formula ########## # MISC ########## ID id SID Sid #IC50 ########## # Yoshida ########## #activity_class ########## # SOL ########## #TRUE_CLASS ########## # HIA ########## #hia_measured ########## # NIPS feature selection challenge ########## true_value