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ambit2.core.* |
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ambit2.core.config.AmbitCONSTANTS | ||
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public static final java.lang.String |
AESimilarity |
"Atom environment similarity" |
public static final java.lang.String |
AMBIT_IDSTRUCTURE |
"AMBIT_ID" |
public static final java.lang.String |
AMBIT_IDSUBSTANCE |
"AMBIT_IDSUBSTANCE" |
public static final java.lang.String |
AQUIRE |
"AQUIRE" |
public static final java.lang.String |
AtomEnvironment |
"ambit2.data.molecule.AtomEnvironmentDescriptor" |
public static final java.lang.String |
CASRN |
"CasRN" |
public static final java.lang.String |
DATASET |
"SOURCE" |
public static final java.lang.String |
EXPERIMENT |
"EXPERIMENT" |
public static final java.lang.String |
EXPERIMENT_LIST |
"EXPERIMENT_LIST" |
public static final java.lang.String |
Fingerprint |
"org.openscience.cdk.fingerprint.Fingerprinter" |
public static final java.lang.String |
FingerprintSTATUS |
"FP_STATUS" |
public static final java.lang.String |
FingerprintTIME |
"FP_TIME" |
public static final java.lang.String |
FORMULA |
"FORMULA" |
public static final java.lang.String |
INCHI |
"INChI" |
public static final int |
maxCyclicBonds |
37 |
public static final int |
maxHAtoms |
70 |
public static final int |
maxHeavyAtoms |
70 |
public static final java.lang.String |
MOLWEIGHT |
"MolWeigth" |
public static final java.lang.String |
NAMES |
"Names" |
public static final java.lang.String |
PairwiseSimilarity |
"PairwiseSimilarity" |
public static final java.lang.String |
PREDICTED |
"PREDICTED" |
public static final java.lang.String |
QSARPOINT |
"QSARPOINT" |
public static final java.lang.String |
SMARTSQuery |
"SMARTSQuery" |
public static final java.lang.String |
SMILES |
"SMILES" |
public static final java.lang.String |
StructuralKey |
"ambit2.smarts.SmartsScreeningKeys.key" |
public static final java.lang.String |
StructuralKey_STATUS |
"ambit2.smarts.SmartsScreeningKeys.status" |
public static final java.lang.String |
StructuralKey_TIME |
"ambit2.smarts.SmartsScreeningKeys.time" |
public static final java.lang.String |
STRUCTURETYPE |
"STRUCTURE_TYPE" |
public static final java.lang.String |
SUBSTANCETYPE |
"SUBSTANCE_TYPE" |
public static final java.lang.String |
Tanimoto |
"Tanimoto" |
public static final java.lang.String |
UNIQUE_SMILES |
"USMILES" |
public static final java.lang.String |
UNIQUE_SMILES_TIME |
"USMILESTIME" |
public static final java.lang.String |
version |
" v2.0 " |
ambit2.core.config.Resources | ||
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public static final java.lang.String |
DEFAULT_DIR |
"DEFAULT_DIR" |
public static final java.lang.String |
err_invalidcas |
"err_invalidcas" |
public static final java.lang.String |
GENERATE2D |
"GENERATE2D" |
public static final java.lang.String |
MSG_EMPTYFILE |
"MSG_EMPTYFILE" |
public static final java.lang.String |
MSG_ERRORONOPEN |
"MSG_ERRORONOPEN" |
public static final java.lang.String |
MSG_ERRORONSAVE |
"MSG_ERRORONSAVE" |
public static final java.lang.String |
msg_exit |
"msg_exit" |
public static final java.lang.String |
msg_notallowed |
"msg_notallowed" |
public static final java.lang.String |
MSG_OPENSUCCESS |
"MSG_OPENSUCCESS" |
public static final java.lang.String |
MSG_SAVESUCCESS |
"MSG_SAVESUCCESS" |
public static final java.lang.String |
MSG_UNSUPPORTEDFORMAT |
"MSG_UNSUPPORTEDFORMAT" |
public static final java.lang.String |
SHOW_AROMATICITY |
"SHOW_AROMATICITY" |
public static final java.lang.String |
SMARTS_UNDEFINED |
"SMARTS_UNDEFINED" |
public static final java.lang.String |
SMILESPARSER |
"SMILESPARSER" |
ambit2.core.data.MoleculeTools | ||
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public static final int |
_FPLength |
1024 |
public static final int |
substTypeInorganic |
2 |
public static final int |
substTypeMetallic |
4 |
public static final int |
substTypeMixture |
3 |
public static final int |
substTypeOrganic |
1 |
ambit2.core.data.experiment.DefaultTemplate | ||
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public static final java.lang.String |
duration |
"Duration" |
public static final java.lang.String |
endpoint |
"Endpoint" |
public static final java.lang.String |
result |
"Result" |
public static final java.lang.String |
species |
"Species" |
public static final java.lang.String |
species_sex |
"Species.sex" |
public static final java.lang.String |
species_strain |
"Species.strain" |
public static final java.lang.String |
units |
"Units" |
ambit2.core.groups.ComponentGroup | ||
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protected static final java.lang.String |
mainsubscript |
"c" |
ambit2.core.groups.ISGroup | ||
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public static final java.lang.String |
SGROUP_CONNECTIVITY |
"ambit2.groups.ISGroup.SGROUP_CONNECTIVITY" |
public static final java.lang.String |
SGROUP_VISIBLE |
"ambit2.groups.ISGroup.visible" |
ambit2.core.io.FileInputState | ||
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public static final transient int |
CML_INDEX |
7 |
public static final transient int |
CSV_INDEX |
1 |
public static final transient int |
EURAS_INDEX |
11 |
public static final transient int |
HIN_INDEX |
8 |
public static final transient int |
ICHI_INDEX |
5 |
public static final transient int |
INCHI_INDEX |
6 |
public static final transient int |
MOL_INDEX |
4 |
public static final transient int |
PDB_INDEX |
9 |
public static final transient int |
SDF_INDEX |
0 |
public static final transient int |
SMI_INDEX |
2 |
public static final transient int |
TXT_INDEX |
3 |
public static final transient int |
XLS_INDEX |
10 |
ambit2.core.io.FileOutputState | ||
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public static final transient int |
CML_INDEX |
4 |
public static final transient int |
CSV_INDEX |
1 |
public static final transient int |
HIN_INDEX |
6 |
public static final transient int |
HTML_INDEX |
10 |
public static final transient int |
JPG_INDEX |
13 |
public static final transient int |
MOL_INDEX |
5 |
public static final transient int |
PDB_INDEX |
7 |
public static final transient int |
PDF_INDEX |
11 |
public static final transient int |
PNG_INDEX |
14 |
public static final transient int |
RTF_INDEX |
15 |
public static final transient int |
SDF_INDEX |
0 |
public static final transient int |
SMI_INDEX |
2 |
public static final transient int |
SVG_INDEX |
12 |
public static final transient int |
TXT_INDEX |
3 |
public static final transient int |
XLS_INDEX |
9 |
public static final transient int |
XYZ_INDEX |
8 |
ambit2.core.io.RawIteratingSDFReader | ||
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public static final java.lang.String |
delimiter |
"$$$$" |
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