public class AmbitCONSTANTS extends Object
Modifier and Type | Field and Description |
---|---|
static String |
AESimilarity
Atom environment similarity
|
static String |
AMBIT_IDSTRUCTURE
the database field structure.idstructure
|
static String |
AMBIT_IDSUBSTANCE
the database field substance.idsubstance
|
static String |
AtomEnvironment
Atom environment (circular fingerprints)
|
static String |
CASRN
CAS RN
|
static String |
DATASET
Dataset source (table struc_dataset)
|
static String |
EXPERIMENT
Experimental data record
|
static String |
EXPERIMENT_LIST
List of experiments
|
static String |
Fingerprint
Daylight - like hashed fingerprint
|
static String |
FingerprintSTATUS
fingerprint status invalid=1; valid=2; error = 3
|
static String |
FingerprintTIME
Time to generate hashed fingerprint
|
static String |
FORMULA
Chemical Formula
|
static String |
INCHI
Inchi
|
static int |
maxCyclicBonds
max cyclic bonds for skipping huge compounds
|
static int |
maxHAtoms
max H atoms for skipping huge compounds
|
static int |
maxHeavyAtoms
max heavy atoms for skipping huge compounds
|
static String |
MOLWEIGHT
Molecular weight
|
static String |
NAMES
Chemical name
|
static String |
PairwiseSimilarity
Pairwise similarity
|
static String |
PREDICTED
Predicted data record
|
static String |
QSARPOINT
QSAR point
|
static String |
SMARTSQuery
SMARTS Query
|
static String |
SMILES
SMILES
|
static String |
StructuralKey |
static String |
StructuralKey_STATUS |
static String |
StructuralKey_TIME |
static String |
STRUCTURETYPE
Structure tyoe
|
static String |
SUBSTANCETYPE
Substance type
|
static String |
Tanimoto
Ttanimoto coefficient
|
static String |
UNIQUE_SMILES
Unique SMILES
|
static String |
UNIQUE_SMILES_TIME
Time to generate an unique smiles
|
static String |
version
Version
|
public static final String version
public static final String CASRN
public static final String NAMES
public static final String SMILES
public static final String UNIQUE_SMILES
public static final String UNIQUE_SMILES_TIME
public static final String FORMULA
public static final String STRUCTURETYPE
public static final String SUBSTANCETYPE
public static final String MOLWEIGHT
public static final String INCHI
public static final String AMBIT_IDSUBSTANCE
public static final String AMBIT_IDSTRUCTURE
public static final String DATASET
public static final String EXPERIMENT
public static final String EXPERIMENT_LIST
public static final String PREDICTED
public static final String QSARPOINT
public static final String Fingerprint
public static final String StructuralKey
public static final String StructuralKey_TIME
public static final String StructuralKey_STATUS
public static final String FingerprintTIME
public static final String FingerprintSTATUS
public static final String AtomEnvironment
public static final String Tanimoto
public static final String PairwiseSimilarity
public static final String AESimilarity
public static final String SMARTSQuery
public static final int maxHeavyAtoms
public static final int maxHAtoms
public static final int maxCyclicBonds
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