Dataset Filtering – Custom or Built-in Filter Types

Category Paths

Follow one of these paths in the Orion user interface, to find the floe.

  • Task-based/Cheminformatics/Filtering

  • Solution-based/Virtual-screening/Analysis/Filtering

  • Role-based/Medicinal Chemist

  • Product-based/OMEGA


This floe filters datasets using a custom filter or the built-in filtering types: Lead, Drug, BlockBuster, or PAINS.

Promoted Parameters

Title in user interface (promoted name)


Input Dataset (in): Dataset to filter

  • Required

  • Type: data_source

Custom Filter File (custom_filter_file): A .txt file used to construct a custom OEFilter.

  • Type: file_in

Use Custom Filter (custom_switch): Set to True if using filter file to create custom filter.

  • Required

  • Type: boolean

  • Default: False

  • Choices: [True, False]


Output Dataset (out): Dataset of records that passed filter.

  • Required

  • Type: dataset_out

  • Default: filter_pass

Rejected Dataset (rejected): Dataset of records that failed filter.

  • Required

  • Type: dataset_out

  • Default: filter_fail

Emit failures (write_failures): Emits failures to the failure port

  • Required

  • Type: boolean

  • Default: True

  • Choices: [True, False]

Filter Type

Filter Type (filter_type): The type of the filtering process.

  • Type: string

  • Default: BlockBuster

  • Choices: [‘Lead’, ‘Drug’, ‘BlockBuster’, ‘PAINS’]