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-VENDOR: http://joelib.sf.net
-RELEASE_VERSION: $Revision: 1.5 $
-RELEASE_DATE: $Date: 2006/02/22 02:18:22 $
-
-#########################################################################
-# Here are the results stored which are known in JOELib.
-#
-# With the joelib2.feature.ResultFactory you can have a look at known
-# results and the class which can parse this result type.
-#
-#########################################################################
-# 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.
-########################################################################
-
-#################################################################################
-$JOELIB_RESULT$ joelib2.feature.result.AtomDynamicResult
-A_AROMATIC
-A_CHARGECENTER
-A_ENLP
-A_ENPI
-A_ENSIG
-A_FORMCHARGE
-A_FREEEL
-A_HASH
-A_HGROUP
-A_ISMETAL
-A_IUPAC_GROUP
-A_LPSTAB
-A_NEIGHBOR
-A_NEL
-A_NONHNEIGHBOR
-A_PERIPH
-A_PICENTER
-A_PISYS
-A_POLARIZABILITY
-A_QPI
-A_QSIG
-A_QTOT
-A_RADICCENTER
-A_RINGSIZE
-#################################################################################
-#$JOELIB_RESULT$ joelib2.feature.result.BondDynamicResult
-#
-# now me must use the ASYM_BOND_PROPERTY_INDEX property
-# to access this descriptor data correctly
-# It's necessary to define a
-# joelib2.feature.result.AsymBondDynamicResult class !!!
-# the BondDynamicResult is DEPRECATED !!!
-#
-#B_BDE
-#B_BOORD
-#B_DENPI
-#B_DENSIG
-#B_DQPI
-#B_DQSIG
-#B_DQTOT
-#B_NDELOC
-#B_NSTAB
-#B_PDELOC
-#B_POLARIZABILITY
-#B_PSTAB
-#B_RINGSIZE
-#B_SDELOC
-#B_SQIT
-#B_STABRS
-#B_TBDE
-#################################################################################
-## When normalizing the data, the integers will be stored as double values AND
-## can be also loaded as double values !!!
-##
-$JOELIB_RESULT$ joelib2.feature.result.IntResult
-##
-$REGEXP$ SMARTS_c_.*
-Entry_Number
-TRUE_CLASS
-#activity_class
-#
-# PETRA descriptors
-#
-E_CHARGE
-E_DELTAHF
-E_HASH
-E_POLARIZABILITY
-E_RADICAL
-E_STABIL
-E_STRAIN
-M_CHARGE
-M_DELTAHF
-M_HASH
-M_HGROUP
-M_NAME
-M_POLARIZABILITY
-M_RADICAL
-M_STABIL
-M_STRAIN
-#
-# Molconn Z 350
-#
-id
-nvx
-nrings
-ncirc
-nelem
-#aname
-$REGEXP$ nas\p{Upper}\p{Lower}*
-$REGEXP$ nd\d
-$REGEXP$ ne\d+
-tg
-tg3
-tm
-tm3
-$REGEXP$ n\dpe\d+
-$REGEXP$ ec\d+
-$REGEXP$ NHBint\d+
-$REGEXP$ count\d
-#
-# MOE descriptors
-#
-a_acc
-a_acid
-a_base
-a_don
-a_hyd
-a_aro
-a_count
-a_nH
-a_heavy
-a_nB
-a_nBr
-a_nC
-a_nCl
-a_nF
-a_nI
-a_nN
-a_nO
-a_nP
-a_nS
-b_heavy
-b_1rotN
-b_ar
-b_count
-b_double
-b_rotN
-b_single
-b_triple
-#################################################################################
-$JOELIB_RESULT$ joelib2.feature.result.APropDoubleArrResult
-Auto_correlation
-$REGEXP$ .*Burden_modified_eigenvalues:[^:]+
-$REGEXP$ .*Auto_correlation:[^:]+
-$REGEXP$ .*RDF:[^:]+
-$REGEXP$ .*BurdenModifiedEigenvalues:[^:]+
-$REGEXP$ .*Autocorrelation:[^:]+
-$REGEXP$ .*RadialDistributionFunction:[^:]+
-#################################################################################
-$JOELIB_RESULT$ joelib2.feature.result.APropDoubleResult
-$REGEXP$ NONE:s\d+:.*:F\d+:\d+
-$REGEXP$ APkPCA:s\d+:.*:F\d+:\d+
-$REGEXP$ APskPCA:s\d+:.*:F\d+:\d+
-$REGEXP$ APPCA:s\d+:.*:F\d+:\d+
-$REGEXP$ :*Global_topological_charge_index:.+
-#$REGEXP$ .*Burden_modified_eigenvalues:.+:\d+
-#################################################################################
-$JOELIB_RESULT$ joelib2.feature.result.DoubleResult
-##
-TRUE
-###
-LOGBB
-IC50
-activity_class
-hia_measured
-logS_expected
-residue_huuskonen
-XlogP
-Number_of_HBA_2
-predicted_logP
-pIC50
-Moriguchi_logP
-Rekker_logP
-Hansch_Leo_logP
-Suzuki_Kudo_logP
-####Achim's sensors
-$REGEXP$ S1_W\d+.*
-$REGEXP$ S2_W\d+.*
-$REGEXP$ S3_W\d+.*
-$REGEXP$ S1_STD\d+.*
-$REGEXP$ S2_STD\d+.*
-$REGEXP$ S3_STD\d+.*
-#melting_point:::contains also 'liq' entries !
-#melting_point
-# pca, kpca extracted eigenvalue projection and inner product features
-$REGEXP$ feature\d+
-#
-# Molconn Z 350
-#
-$REGEXP$ SHBint\d+
-Qv
-SHCsats
-SHCsatu
-SHvin
-SHtvin
-SHavin
-SHarom
-SHHBD
-SHWHBD
-SHHBA
-petitjeanSC
-fw
-x0
-x1
-x2
-xp3
-xp4
-xp5
-xp6
-xp7
-xp8
-xp9
-xp10
-xv0
-xv1
-xv2
-xvp3
-xvp4
-xvp5
-xvp6
-xvp7
-xvp8
-xvp9
-xvp10
-xc3
-xc4
-xpc4
-xch3
-xch4
-xch5
-xch6
-xch7
-xch8
-xch9
-xch10
-xvc3
-xvc4
-xvpc4
-xvch3
-xvch4
-xvch5
-xvch6
-xvch7
-xvch8
-xvch9
-xvch10
-dx0
-dx1
-dx2
-dxp3
-dxp4
-dxp5
-dxp6
-dxp7
-dxp8
-dxp9
-dxp10
-dxv0
-dxv1
-dxv2
-dxvp3
-dxvp4
-dxvp5
-dxvp6
-dxvp7
-dxvp8
-dxvp9
-dxvp10
-k0
-k1
-k2
-k3
-ka1
-ka2
-ka3
-si
-totop
-sumI
-sumDELI
-tets2
-phia
-$REGEXP$ s\d+
-SHsOH
-SHdNH
-SHsSH
-SHsNH2
-SHssNH
-SHtCH
-SHother
-SHCHnX
-Hmax
-Gmax
-Hmin
-Gmin
-Hmaxpos
-Hminneg
-SsLi
-SssBe
-SssssBem
-SssBH
-SsssB
-SssssBm
-SsCH3
-SdCH2
-SssCH2
-StCH
-SdsCH
-SaaCH
-SsssCH
-SddC
-StsC
-SdssC
-SaasC
-SaaaC
-SssssC
-SsNH3p
-SsNH2
-SssNH2p
-SdNH
-SssNH
-SaaNH
-StN
-SsssNHp
-SdsN
-SaaN
-SsssN
-SddsN
-SaasN
-SssssNp
-SsOH
-SdO
-SssO
-SaaO
-SsF
-SsSiH3
-SssSiH2
-SsssSiH
-SssssSi
-SsPH2
-SssPH
-SsssP
-SdsssP
-SsssssP
-SsSH
-SdS
-SssS
-SaaS
-SdssS
-SddssS
-SssssssS
-SsCl
-SsGeH3
-SssGeH2
-SsssGeH
-SssssGe
-SsAsH2
-SssAsH
-SsssAs
-SdsssAs
-SsssssAs
-SsSeH
-SdSe
-SssSe
-SaaSe
-SdssSe
-SddssSe
-SsBr
-SsSnH3
-SssSnH2
-SsssSnH
-SssssSn
-SsI
-SsPbH3
-SssPbH2
-SsssPbH
-SssssPb
-CHsOH
-CHdNH
-CHsSH
-CHsNH2
-CHssNH
-CHtCH
-CHother
-CHCHnX
-CHmax
-CGmax
-CHmin
-CGmin
-CHmaxpos
-CHminneg
-CsLi
-CssBe
-CssssBe
-CssBH
-CsssB
-CssssB
-CsCH3
-CdCH2
-CssCH2
-CtCH
-CdsCH
-CaaCH
-CsssCH
-CddC
-CtsC
-CdssC
-CaasC
-CaaaC
-CssssC
-CsNH3
-CsNH2
-CssNH2
-CdNH
-CssNH
-CaaNH
-CtN
-CsssNH
-CdsN
-CaaN
-CsssN
-CddsN
-CaasN
-CssssNp
-CsOH
-CdO
-CssO
-CaaO
-CsF
-CsSiH3
-CssSiH2
-CsssSiH
-CssssSi
-CsPH2
-CssPH
-CsssP
-CdsssP
-CsssssP
-CsSH
-CdS
-CssS
-CaaS
-CdssS
-CddssS
-CssssssS
-CsCl
-CsGeH3
-CssGeH2
-CsssGeH
-CssssGe
-CsAsH2
-CssAsH
-CsssAs
-CdsssAs
-CsssssAs
-CsSeH
-CdSe
-CssSe
-CaaSe
-CdssSe
-CddssSe
-CsBr
-CsSnH3
-CssSnH2
-CsssSnH
-CssssSn
-CsI
-CsPbH3
-CssPbH2
-CsssPbH
-CssssPb
-$REGEXP$ Hs\d+
-idw
-idwbar
-idc
-idcbar
-W
-Wp
-pf
-Wt
-knotp
-knotpv
-nclass
-numHBd
-numwHBd
-numHBa
-$REGEXP$ nxp\d+
-nxc3
-nxc4
-nxpc4
-$REGEXP$ nxch\d+
-ntpath
-diam
-muldiam
-rad
-mulrad
-ishape
-#
-# MOE descriptors
-#
-a_IC
-a_ICM
-b_rotR
-b_1rotR
-diameter
-petitjean
-radius
-VDistEq
-VDistMa
-weinerPath
-weinerPol
-chi0v
-chi0v_C
-chi1v
-chi1v_C
-reactive
-Weight
-chi0
-chi0_C
-chi1
-chi1_C
-FCharge
-VAdjEq
-VAdjMa
-zagreb
-balabanJ
-PEOE_PC+
-PEOE_PC-
-PEOE_RPC+
-PEOE_RPC-
-$REGEXP$ PEOE_VSA[-+]\d
-PEOE_VSA_FHYD
-PEOE_VSA_FNEG
-PEOE_VSA_FPNEG
-PEOE_VSA_FPOL
-PEOE_VSA_FPOS
-PEOE_VSA_FPPOS
-PEOE_VSA_HYD
-PEOE_VSA_NEG
-PEOE_VSA_PNEG
-PEOE_VSA_POL
-PEOE_VSA_POS
-PEOE_VSA_PPOS
-PC+
-PC-
-Q_PC+
-Q_PC-
-Q_RPC+
-Q_RPC-
-Q_VSA_FHYD
-Q_VSA_FNEG
-Q_VSA_FPNEG
-Q_VSA_FPOL
-Q_VSA_FPOS
-Q_VSA_FPPOS
-Q_VSA_HYD
-Q_VSA_NEG
-Q_VSA_PNEG
-Q_VSA_POL
-Q_VSA_POS
-Q_VSA_PPOS
-RPC+
-RPC-
-E
-E_ang
-E_ele
-E_nb
-E_oop
-E_sol
-E_stb
-E_str
-E_strain
-E_tor
-E_vdw
-E_rele
-E_rnb
-E_rsol
-E_rvdw
-Kier1
-Kier2
-Kier3
-KierA1
-KierA2
-KierA3
-KierFlex
-apol
-bpol
-mr
-dipole
-dipoleX
-dipoleY
-dipoleZ
-pmi
-pmiX
-pmiY
-pmiZ
-rgyr
-vsa_acc
-vsa_acid
-vsa_base
-vsa_don
-vsa_hyd
-vsa_other
-vsa_pol
-SlogP
-$REGEXP$ SlogP_VSA\d+
-SMR
-$REGEXP$ SMR_VSA\d+
-ASA
-ASA+
-ASA-
-ASA_H
-ASA_P
-CASA+
-CASA-
-DASA
-DCASA
-FASA+
-FASA-
-FASA_H
-FASA_P
-FCASA+
-FCASA-
-VSA
-TPSA
-density
-vdw_area
-vdw_vol
-dens
-glob
-std_dim1
-std_dim2
-std_dim3
-vol
-logP(o/w)
-#
-# Human Intestinal Absorption (HIA)
-#
-connolly_surface_polar
-connolly_surf_hydrophob
-rotatable_bonds
-hydrogen_donors
-eccentricity
-std_dim1
-hia_measured
-molecular_weight
-connolly_surf_pol_percent
-logP
-hydrogen_acceptors
-dipol
-#
-# JOELib resolved atom property transformation descriptors
-#
-$REGEXP$ Global_topological_charge_index_\d+
-$REGEXP$ .*Auto_correlation:.+:\d+
-$REGEXP$ .*Atom_mass:\d+
-$REGEXP$ [^:]+Atom_valence:\d+
-$REGEXP$ .*Atom_valence:\d+
-$REGEXP$ .*Atom_van_der_waals_volume:\d+
-$REGEXP$ .*Atom_in_conjugated_environment:\d+
-$REGEXP$ .*Burden_modified_eigenvalues:.+:\d+
-$REGEXP$ .*Conjugated_electrotopological_state_index:\d+
-$REGEXP$ .*Conjugated_topological_distance:\d+
-$REGEXP$ .*Electronegativity_pauling:\d+
-$REGEXP$ .*Electrotopological_state_index:\d+
-$REGEXP$ .*Electrogeometrical_state_index:\d+
-$REGEXP$ .*Electron_affinity:\d+
-$REGEXP$ .*Gasteiger_Marsili:\d+
-$REGEXP$ .*Graph_potentials:\d+
-$REGEXP$ .*Intrinsic_state:\d+
-$REGEXP$ .*Atom_is_negative:\d+
-$REGEXP$ .*Atom_in_acceptor:\d+
-$REGEXP$ .*Atom_in_donor_or_acceptor:\d+
-$REGEXP$ .*Atom_in_donor:\d+
-$REGEXP$ .*Atom_in_ring:\d+
-$REGEXP$ .*Atom_is_positive:\d+
-$REGEXP$ .*Atom_in_terminal_carbon:\d+
-$REGEXP$ .*AtomENAllredRochow:\d+
-$REGEXP$ .*AtomENPauling:\d+
-$REGEXP$ .*AtomElectronAffinity:\d+
-$REGEXP$ .*AtomExplicitHydrogenCount:\d+
-$REGEXP$ .*AtomFreeElectronsCount:\d+
-$REGEXP$ .*AtomFreeOxygenCount:\d+
-$REGEXP$ .*AtomHeavyValence:\d+
-$REGEXP$ .*AtomHeteroValence:\d+
-$REGEXP$ .*AtomImplicitHydrogenCount:\d+
-$REGEXP$ .*AtomImplicitValence:\d+
-$REGEXP$ .*AtomInAcceptor:\d+
-$REGEXP$ .*AtomInAromaticSystem:\d+
-$REGEXP$ .*AtomInConjEnvironment:\d+
-$REGEXP$ .*AtomInDonor:\d+
-$REGEXP$ .*AtomInTerminalCarbon:\d+
-$REGEXP$ .*AtomIsAmideNitrogen:\d+
-$REGEXP$ .*AtomIsAmideNitrogen:\d+
-$REGEXP$ .*AtomIsAromaticNOxide:\d+
-$REGEXP$ .*AtomIsAxial:\d+
-$REGEXP$ .*AtomIsCarbon:\d+
-$REGEXP$ .*AtomIsCarboxylOxygen:\d+
-$REGEXP$ .*AtomIsChiral:\d+
-$REGEXP$ .*AtomIsClockwise:\d+
-$REGEXP$ .*AtomIsClockwise:\d+
-$REGEXP$ .*AtomIsElectronegative:\d+
-$REGEXP$ .*AtomIsHalogen:\d+
-$REGEXP$ .*AtomIsHeteroatom:\d+
-$REGEXP$ .*AtomIsNegative:\d+
-$REGEXP$ .*AtomIsNitrogen:\d+
-$REGEXP$ .*AtomIsNonPolarHydrogen:\d+
-$REGEXP$ .*AtomIsOxygen:\d+
-$REGEXP$ .*AtomIsPhosphateOxygen:\d+
-$REGEXP$ .*AtomIsPhosphorus:\d+
-$REGEXP$ .*AtomIsPolarHydrogen:\d+
-$REGEXP$ .*AtomIsPositive:\d+
-$REGEXP$ .*AtomIsUnsaturated:\d+
-$REGEXP$ .*AtomIsUnsaturated:\d+
-$REGEXP$ .*AtomKekuleBondOrderSum:\d+
-$REGEXP$ .*AtomMass:\d+
-$REGEXP$ .*AtomVanDerWaalsVolume:\d+
-$REGEXP$ .*CharacteristicPolynomialCoefficients:\d+
-$REGEXP$ .*ConjElectroTopolState:\d+
-$REGEXP$ .*ElectrotopologicalState:\d+
-$REGEXP$ .*GraphPotentials:\d+
-$REGEXP$ .*IntrinsicState:\d+
-$REGEXP$ .*AtomIsAlphaBetaUnsaturated:\d+
-$REGEXP$ .*AtomIsSulfateOxygen:\d+
-$REGEXP$ .*AtomInDonAcc:\d+
-$REGEXP$ .*ConjugatedTopologicalDistance:\d+
-$REGEXP$ .*AtomBondOrderSum:\d+
-$REGEXP$ .*ElectrogeometricalState:\d+
-$REGEXP$ .*AtomIsSulfur:\d+
-$REGEXP$ .*AtomPartialCharge:\d+
-$REGEXP$ .*AtomIsHydrogen:\d+
-$REGEXP$ .*AtomValence:\d+
-$REGEXP$ .*AtomHybridisation:\d+
-$REGEXP$ .*AtomIsNitroOxygen:\d+
-$REGEXP$ .*AtomIsAntiClockwise:\d+
-$REGEXP$ .*AtomInRingsCount:\d+
-$REGEXP$ .*AtomENSanderson:\d+
-$REGEXP$ .*AtomInRing:\d+
-$REGEXP$ .*CharacteristicPolynomial:\d+
-$REGEXP$ .*AtomValenceSum:\d+
-#################################################################################
-$JOELIB_RESULT$ joelib2.feature.result.BooleanResult
-$REGEXP$ SMARTS_b_.*
-$REGEXP$ SMARTS_MACCS_.*
-$REGEXP$ SMARTS_SSKey_.*
-#################################################################################
-#
-# MOE special descriptors
-#
-$JOELIB_RESULT$ joelib2.feature.result.IntBitArrayResult
-FP:MACCS
-#################################################################################
-$JOELIB_RESULT$ joelib2.feature.result.BitArrayResult
-dy_fp
-#################################################################################
-#################################################################################