ncsw_data.storage.cacs.sqlite_db.model.workbench.compound

The ncsw_data.storage.cacs.sqlite_db.model.workbench package compound module.

Classes

CaCSSQLiteDatabaseModelWorkbenchCompound

The computer-assisted chemical synthesis (CaCS) SQLite database model workbench chemical compound class.

Module Contents

class ncsw_data.storage.cacs.sqlite_db.model.workbench.compound.CaCSSQLiteDatabaseModelWorkbenchCompound

Bases: ncsw_data.storage.cacs.sqlite_db.model.base.base.CaCSSQLiteDatabaseModelBase, ncsw_data.storage.cacs.sqlite_db.model.base.mixin.CaCSSQLiteDatabaseModelReprMethodMixin, ncsw_data.storage.cacs.sqlite_db.model.base.mixin.CaCSSQLiteDatabaseModelTimestampColumnsMixin

The computer-assisted chemical synthesis (CaCS) SQLite database model workbench chemical compound class.

__tablename__ = 'workbench_compound'

id: sqlalchemy.orm.Mapped[int]

smiles: sqlalchemy.orm.Mapped[str]

is_building_block: sqlalchemy.orm.Mapped[bool]

archive_compounds

workbench_reactions_as_reactant

workbench_reactions_as_spectator

workbench_reactions_as_product