ambit2.core.config
Class AmbitCONSTANTS

java.lang.Object
  ambit2.core.config.AmbitCONSTANTS

public class AmbitCONSTANTS
extends java.lang.Object

Constants

Nested Class Summary

static class

AmbitCONSTANTS.STRUC_TYPE

Field Summary

static java.lang.String	AESimilarity Atom environment similarity
static java.lang.String	AMBIT_IDSTRUCTURE the database field structure.idstructure
static java.lang.String	AMBIT_IDSUBSTANCE the database field substance.idsubstance
static java.lang.String	AQUIRE AQUIRE data (TO DO)
static java.lang.String	AtomEnvironment Atom environment (circular fingerprints)
static java.lang.String	CASRN CAS RN
static java.lang.String	DATASET Dataset source (table struc_dataset)
static java.lang.String	EXPERIMENT Experimental data record
static java.lang.String	EXPERIMENT_LIST List of experiments
static java.lang.String	Fingerprint Daylight - like hashed fingerprint
static java.lang.String	FingerprintSTATUS fingerprint status invalid=1; valid=2; error = 3
static java.lang.String	FingerprintTIME Time to generate hashed fingerprint
static java.lang.String	FORMULA Chemical Formula
static java.lang.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 java.lang.String	MOLWEIGHT Molecular weight
static java.lang.String	NAMES Chemical name
static java.lang.String	PairwiseSimilarity Pairwise similarity
static java.lang.String	PREDICTED Predicted data record
static java.lang.String	QSARPOINT QSAR point
static java.lang.String	SMARTSQuery SMARTS Query
static java.lang.String	SMILES SMILES
static java.lang.String	StructuralKey
static java.lang.String	StructuralKey_STATUS
static java.lang.String	StructuralKey_TIME
static java.lang.String	STRUCTURETYPE Structure tyoe
static java.lang.String	SUBSTANCETYPE Substance type
static java.lang.String	Tanimoto Ttanimoto coefficient
static java.lang.String	UNIQUE_SMILES Unique SMILES
static java.lang.String	UNIQUE_SMILES_TIME Time to generate an unique smiles
static java.lang.String	version Version

Method Summary

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Detail

version

public static final java.lang.String version

Version

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Constant Field Values

CASRN

public static final java.lang.String CASRN

CAS RN

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Constant Field Values

NAMES

public static final java.lang.String NAMES

Chemical name

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Constant Field Values

SMILES

public static final java.lang.String SMILES

SMILES

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Constant Field Values

UNIQUE_SMILES

public static final java.lang.String UNIQUE_SMILES

Unique SMILES

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Constant Field Values

UNIQUE_SMILES_TIME

public static final java.lang.String UNIQUE_SMILES_TIME

Time to generate an unique smiles

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Constant Field Values

FORMULA

public static final java.lang.String FORMULA

Chemical Formula

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Constant Field Values

STRUCTURETYPE

public static final java.lang.String STRUCTURETYPE

Structure tyoe

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Constant Field Values

SUBSTANCETYPE

public static final java.lang.String SUBSTANCETYPE

Substance type

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Constant Field Values

MOLWEIGHT

public static final java.lang.String MOLWEIGHT

Molecular weight

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Constant Field Values

INCHI

public static final java.lang.String INCHI

Inchi

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Constant Field Values

AMBIT_IDSUBSTANCE

public static final java.lang.String AMBIT_IDSUBSTANCE

the database field substance.idsubstance

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Constant Field Values

AMBIT_IDSTRUCTURE

public static final java.lang.String AMBIT_IDSTRUCTURE

the database field structure.idstructure

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Constant Field Values

DATASET

public static final java.lang.String DATASET

Dataset source (table struc_dataset)

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Constant Field Values

EXPERIMENT

public static final java.lang.String EXPERIMENT

Experimental data record

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Constant Field Values

EXPERIMENT_LIST

public static final java.lang.String EXPERIMENT_LIST

List of experiments

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Constant Field Values

PREDICTED

public static final java.lang.String PREDICTED

Predicted data record

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Constant Field Values

QSARPOINT

public static final java.lang.String QSARPOINT

QSAR point

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Constant Field Values

AQUIRE

public static final java.lang.String AQUIRE

AQUIRE data (TO DO)

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Constant Field Values

Fingerprint

public static final java.lang.String Fingerprint

Daylight - like hashed fingerprint

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Constant Field Values

StructuralKey

public static final java.lang.String StructuralKey

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Constant Field Values

StructuralKey_TIME

public static final java.lang.String StructuralKey_TIME

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Constant Field Values

StructuralKey_STATUS

public static final java.lang.String StructuralKey_STATUS

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Constant Field Values

FingerprintTIME

public static final java.lang.String FingerprintTIME

Time to generate hashed fingerprint

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Constant Field Values

FingerprintSTATUS

public static final java.lang.String FingerprintSTATUS

fingerprint status invalid=1; valid=2; error = 3

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Constant Field Values

AtomEnvironment

public static final java.lang.String AtomEnvironment

Atom environment (circular fingerprints)

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Constant Field Values

Tanimoto

public static final java.lang.String Tanimoto

Ttanimoto coefficient

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Constant Field Values

PairwiseSimilarity

public static final java.lang.String PairwiseSimilarity

Pairwise similarity

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Constant Field Values

AESimilarity

public static final java.lang.String AESimilarity

Atom environment similarity

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Constant Field Values

SMARTSQuery

public static final java.lang.String SMARTSQuery

SMARTS Query

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Constant Field Values

maxHeavyAtoms

public static final int maxHeavyAtoms

max heavy atoms for skipping huge compounds

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Constant Field Values

maxHAtoms

public static final int maxHAtoms

max H atoms for skipping huge compounds

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Constant Field Values

maxCyclicBonds

public static final int maxCyclicBonds

max cyclic bonds for skipping huge compounds

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Constant Field Values