Constant Field Values

Contents

chemaxon.alignment.*

  • chemaxon.alignment.MinMaxDistance
    Modifier and Type
    Constant Field
    Value
    public static final double
    WEIGHT
    1.0
  • chemaxon.alignment.NodeColor
    Modifier and Type
    Constant Field
    Value
    public static final int
    ANCHOR
    2048
  • chemaxon.alignment.NodeColor.ExtendedAtomColoring
    Modifier and Type
    Constant Field
    Value
    public static final int
    OFFSET
    1
  • chemaxon.alignment.Pharmacophore3D
    Modifier and Type
    Constant Field
    Value
    public static final int
    ACCP
    4
    public static final int
    ALIPHATIC_RINGCENTER
    1024
    public static final int
    ANCHOR
    2048
    public static final int
    AROMATIC_ATOM
    8
    public static final int
    AROMATIC_RINGCENTER
    512
    public static final int
    DONR
    1
    public static final int
    H
    256
    public static final int
    HYDR
    16
    public static final int
    LP
    128
    public static final int
    NEG
    64
    public static final int
    POS
    32

chemaxon.calculations.*

  • chemaxon.calculations.dipole.DipoleResult
    Modifier and Type
    Constant Field
    Value
    protected static final double
    DEBYE_TO_EA
    0.20822678

chemaxon.checkers.*

chemaxon.chemterms.*

chemaxon.core.*

  • chemaxon.core.calculations.stereo.Stereochemistry
    Modifier and Type
    Constant Field
    Value
    public static final int
    EVEN
    2
    public static final int
    ODD
    1

chemaxon.descriptors.*

  • chemaxon.descriptors.CDParameters
    Modifier and Type
    Constant Field
    Value
    public static final int
    BINARY_DESCRIPTOR
    0
    public static final int
    FLOAT_DESCRIPTOR
    2
    public static final int
    INTEGER_DESCRIPTOR
    1
  • chemaxon.descriptors.CFParameters
    Modifier and Type
    Constant Field
    Value
    public static final int
    DEFAULT_BITS_SET
    2
    public static final int
    DEFAULT_BOND_COUNT
    7
    public static final int
    DEFAULT_LENGTH
    1024
  • chemaxon.descriptors.ECFPParameters
    Modifier and Type
    Constant Field
    Value
    public static final int
    DEFAULT_DIAMETER
    4
    public static final int
    DEFAULT_LENGTH
    1024
  • chemaxon.descriptors.MDParameters
    Modifier and Type
    Constant Field
    Value
    public static final float
    DEFAULT_ASYMMETRY_FACTOR
    0.0f
    public static final int
    DEFAULT_OUTPUT_PRECISION
    2
    public static final float
    DEFAULT_SCALE_FACTOR
    1.0f
    public static final float
    DEFAULT_WEIGHT
    1.0f
  • chemaxon.descriptors.MetricsType
    Modifier and Type
    Constant Field
    Value
    public static final String
    SEPARATOR
    ":"
  • chemaxon.descriptors.PFParameters
    Modifier and Type
    Constant Field
    Value
    public static final float
    DEFAULT_FUZZINESS_FACTOR
    1.0f
    public static final float
    DEFAULT_FUZZY_CUTOFF
    10.0f
    public static final int
    DEFAULT_FUZZY_LOWER_BOUND
    1
    public static final int
    DEFAULT_RESOLUTION
    1
    public static final String
    DEFAULT_XML_CONFIG
    "<?xml version=\"1.0\" encoding=\"UTF-8\"?>\n<!-- Pharmacophore configuration file -->\n<PharmacophoreFingerprintConfiguration Version =\"0.3\" schemaLocation=\"pharmacophores.xsd\">\n <PharmacophoreDefinition>\n <Search StereoCareChecking=\"false\"/>\n <Mols>\n <Mol ID=\"pos\" Structure=\"[*+]\"/>\n <Mol ID=\"nitro\" Structure=\"[O:2]~[N:1]=[O:3]\"/>\n <Mol ID=\"amine\" Structure=\"C[N:1]\"/>\n <Mol ID=\"tertamine\" Structure=\"C[N:1](C)C\"/>\n <Mol ID=\"aniline\" Structure=\"c[N:1]\"/>\n <Mol ID=\"amide\" Structure=\"[#7:1][C,P,S:2]=O\"/>\n <Mol ID=\"hydrazine\" Structure=\"NN\"/>\n <Mol ID=\"phenylhydrazine\" Structure=\"c[N:1][N:2]\"/>\n <Mol ID=\"hydrazide\" Structure=\"[#7:1]NC=O\"/>\n <Mol ID=\"amidine\" Structure=\"[#7:2][C,P,S:1]=[N:3]\"/>\n <Mol ID=\"neg\" Structure=\"[*-]\"/>\n <Mol ID=\"carbox\" Structure=\"[H][O:3][C:1]=[O:2]\"/>\n <Mol ID=\"carboxylate\" Structure=\"[O-3][C:1]=[O:2]\"/>\n <Mol ID=\"sulfonyl\" Structure=\"[H][O:3][S:1](=[O:2])=[O:4]\"/>\n <Mol ID=\"sulfonate\" Structure=\"[O-:3][S:1](=[O:4])=[O:2]\"/>\n <Mol ID=\"phosphonyl\" Structure=\"[H][O:4][P:1]([O:2])=[O:3]\"/>\n <Mol ID=\"phosphonate\" Structure=\"[O:4][P:1]([O-:2])=[O:3]\"/>\n <Mol ID=\"arom\" Structure=\"[*;a]\"/>\n <Mol ID=\"cx\" Structure=\"[C,F,Cl,Br,I,At]\"/>\n <Mol ID=\"nos\" Structure=\"[#7,#8,#16]\"/>\n <Mol ID=\"pyr\" Structure=\"[nX3]\"/>\n <Mol ID=\"qh\" Structure=\"[!#1!#6:1][H]\"/>\n </Mols>\n <Pharmacophores>\n <AtomSet ID=\"Aromatic\" Symbol=\"r\">arom</AtomSet>\n <AtomSet ID=\"Cationic\" Symbol=\"+\">\n <![CDATA[ !neg && ((pos && !nitro:1) || ((amine:1 || hydrazine || amidine:2,3) && !(tertamine:1 || amide:1 || nitro:1 || aniline:1 || phenylhydrazine:2))) ]]>\n </AtomSet>\n <AtomSet ID=\"Anionic\" Symbol=\"-\">\n <![CDATA[ !pos && ((neg && !nitro:2,3) || carbox:2,3 || carboxylate:2,3 || sulfonyl:2,3,4 || sulfonate || phosphonyl:2,3,4 || phosphonate) ]]>\n </AtomSet>\n <AtomSet ID=\"HydrogenBondDonor\" Symbol=\"d\">\n <![CDATA[ qh:1 || tertamine:1 && !{Anionic}]]>\n </AtomSet>\n <AtomSet ID=\"HydrogenBondAcceptor\" Symbol=\"a\">\n <![CDATA[ nos && !tertamine:1 && !pyr && !amide:1,2 && !aniline:1 && !sulfonyl:1 && !sulfonate:1 && !{Cationic} && !nitro:1 ]]>\n </AtomSet>\n <AtomSet ID=\"Hydrophobic\" Symbol=\"h\">\n <![CDATA[ cx && !{Aromatic} && !{Cationic} && !{Anionic} && !{HydrogenBondDonor} && !{HydrogenBondAcceptor} ]]>\n </AtomSet>\n </Pharmacophores>\n <PharmacophoreFingerprintParameters MinimalDistance=\"1\" MaximalDistance=\"10\" />\n </PharmacophoreDefinition>\n <StandardizerConfiguration Version =\"0.1\">\n <Actions> \n <Removal ID=\"keepOne\" Method=\"keepLargest\" Measure=\"molMass\"/>\n <Action ID=\"aromatize\" Act=\"aromatize\"/>\n </Actions>\n </StandardizerConfiguration>\n <ScreeningConfiguration>\n <PharmacophorePointColors>\n <Color Symbol=\"+\" Value=\"red\"/>\n <Color Symbol=\"-\" Value=\"blue\"/>\n <Color Symbol=\"r\" Value=\"green\"/>\n <Color Symbol=\"h\" Value=\"black\"/>\n <Color Symbol=\"d\" Value=\"navy\"/>\n <Color Symbol=\"a\" Value=\"maroon\"/>\n <Color Symbol=\"a/d\" Value=\"purple\"/>\n <Color Symbol=\"+/d\" Value=\"lime\"/>\n <Color Symbol=\"-/a\" Value=\"aqua\"/>\n <Color Symbol=\"empty\" Value=\"gray\"/>\n <Color Symbol=\"other\" Value=\"fuchsia\"/>\n </PharmacophorePointColors> \n <ParametrizedMetrics>\n <ParametrizedMetric Name=\"Tanimoto\" ActiveFamily=\"Generic\" \n Metric=\"Tanimoto\" Threshold=\"0.2\"/>\n <ParametrizedMetric Name=\"Euclidean\" ActiveFamily=\"Generic\" \n Metric=\"Euclidean\" Threshold=\"15\" />\n <ParametrizedMetric Name=\"Tversky\" ActiveFamily=\"Generic\"\n Metric=\"Tversky\" Threshold=\"0.5\" TverskyAlpha=\"1\" TverskyBeta=\"1\"/>\n <ParametrizedMetric Name=\"UnityTversky\" ActiveFamily=\"Generic\"\n Metric=\"Tversky\" Threshold=\"0.5\" TverskyAlpha=\"0.\" TverskyBeta=\"0.\"/>\n </ParametrizedMetrics>\n </ScreeningConfiguration>\n</PharmacophoreFingerprintConfiguration>\n"
  • chemaxon.descriptors.RFParameters
    Modifier and Type
    Constant Field
    Value
    public static final int
    DEFAULT_BITS_SET
    2
    public static final int
    DEFAULT_BOND_COUNT
    6
    public static final int
    DEFAULT_LENGTH
    2048
  • chemaxon.descriptors.SimilarityCalculatorFactory
    Modifier and Type
    Constant Field
    Value
    public static final String
    SEPARATOR
    ";"

chemaxon.fixers.*

chemaxon.formats.*

chemaxon.marvin.*

chemaxon.naming.*

chemaxon.reaction.*

chemaxon.rendering.*

chemaxon.search.*

chemaxon.standardizer.*

chemaxon.struc.*

chemaxon.structurechecker.*