OEFilterType

This namespace contains 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.

See also

Variations of 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.

Download filter

filter_blockbuster.txt

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.

Download filter

filter_drug.txt

Fragment

Filter for extracting small molecules from a database.

Download filter

filter_frag.txt

Lead

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

Download filter

filter_lead.txt

PAINS

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

See also

PAINS section

Download filter

filter_pains.txt

BlockBusterPAINS

Combines the filtering criteria of BlockBuster and PAINS.

Max

Current maximum number of provided built-in filter types.