OEFilterTypeΒΆ

This namespace controls some default built-in filters that can be passed to the OEFilter constructor.

Warning

Go look at the Filter Files before using any of the following default filters.

BlockBuster

This is the recommended default filter. We encourage you to use it unless you are familiar with filtering or not satisfied with your initial results.

See also

The development of this filter is described in the Variations of Filters section.

Default

An alias for the current default value of OEFilterType.BlockBuster.

Drug

Corresponds to the [Oprea-2000] drug-like filters useful for later stage drug development. This is provided as a backwards compatible option. Experience has shown it to be too restrictive, the OEFilterType.BlockBuster filter is recommended.

Fragment

Filter for extracting small molecules from a database.

Lead

Corresponds to the [Oprea-2000] lead-like filters useful for preparing HTS databases.

PAINS

Corresponds to the [Baell-2010] filter useful for removing common substructures that interfere with bioassays.

See also

PAINS section

Max

Current maximum number of provided filters.

Unknown

Currently unused for anything.