SubstanceEncoding

class baybe.parameters.enum.SubstanceEncoding[source]

Bases: ParameterEncoding

Available encodings for substance parameters.

Public attributes and properties

MORDRED

Encoding based on Mordred chemical descriptors.

RDKIT

Encoding based on RDKit chemical descriptors.

MORGAN_FP

Encoding based on Morgan molecule fingerprints.
__new__(value)
MORDRED = 'MORDRED'

Encoding based on Mordred chemical descriptors.

MORGAN_FP = 'MORGAN_FP'

Encoding based on Morgan molecule fingerprints.

RDKIT = 'RDKIT'

Encoding based on RDKit chemical descriptors.