OEMetadataΒΆ

A nested class containing constants for use with OEFieldMeta. Metadata has two forms: options are simple flags, while attributes are key-value pairs. The hierarchy of metadata constants is shown below, with each constant’s use as either an option or attribute indicated.

OEMetadata

Annotation (attributes with value type of str)

Description

Author

Comments

Source (attributes with value type of str)

ID

JobID

ServiceID

Version

Query

Flags (options)

ID

Deprecated

Range

Categorical

Ordinal

Invalid

Readonly

DoNotSave

Independent

Experimental

Calculated

SDData

GenericData

PDBData

UserCreated

Optional

Predicted

Hints (options)

Image

Image_SVG

Image_PNG

Image_JPG

Date

URL

ImageURL

LargerValuesBetter

SmallerValuesBetter

ShardID

Chem

PrimaryMol

SMILES

SMARTS

Protein

Receptor

Conformer

Reaction

Markush

FingerPrint

SelectivityTarget

PrimaryTarget

Ligand

Query

MolReference

ProteinSequence

DNASequence

RNASequence

InChi

InChiKey

OrionMolURL

ChemicalName

RotorOffsetCompression

GraphMol

Display (options)

Hidden

AsMean

AsRange

Precision1

Precision2

Precision3

Precision4

PreferLog

ColorBy

MarkerBy

SizeBy

XAxis

YAxis

Chem

AsDepiction

Relations (A class defining relationship attributes to other columns. The attribute type is str, for column names.)

ErrorsFor

ChildOf

UnitsFor

DetailsFor

MeanFor

GroupID

ReplacedBy

AppliesTo

CommentFor

MeasurementUpperLimitFor

MeasurementLowerLimitFor

QualifierFor

SplitFrom

Chem

MolDataFor

ConfDataFor

AtomDataFor

BondDataFor

LigandFor

ReceptorFor

QueryFor

Units (options)

Concentration

M

mM

uM

nM

mg_per_kg

ng_per_ml

ppm

ppb

Energy

Cal

kCal

J

kJ

Hartree

eV

kCal_per_mol

kJ_per_mol

kT

RT

Entropy

kCal_per_mol_K

kJ_per_mol_K

Velocity

m_per_s

A_per_ps

Density

e_per_A3

n_per_A3

item_per_m3

item_per_cm3

Amount

Mol

Item

Charge

Coulomb

PlanckCharge

Angle(Constants):

rad

deg

Force

N

dyn

H_per_Bohr

eV_per_A

kJ_per_mol_rad

kJ_per_mol_nm

kJ_per_mol_A

kCal_per_mol_rad

kCal_per_mol_nm

kCal_per_mol_A

Power
W
Current

A

mA

uA

ElectricalPotential
V
MagneticField

T

G

Pressure

Pa

kPa

bar

atm

mmHg

tor

DipoleMoment

D

statCm

Length

m

mm

um

nm

Ang

Bohr

Time

s

ms

us

ns

ps

fs

days

min

hours

Mass

kg

g

mg

ug

ng

Da

Volume

l

ml

ul

nl

A3

Frequency

Hz

kHz

MHz

GHz

THz

Recip_cm

Temp

C

F

K

Limits (attributes with float values)

Lower

Upper

Constraints (attributes with float values)

AllowedValues

Limits