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
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.
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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.
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Fragment
Filter for extracting small molecules from a database.
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Lead
Corresponds to the [Oprea-2000] lead-like filters useful for preparing HTS databases.
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PAINS
Corresponds to the [Baell-2010] filter useful for removing common substructures that interfere with bioassays.
See also
PAINS section
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BlockBusterPAINS
Combines the filtering criteria of BlockBuster and PAINS.
Max
Current maximum number of provided built-in filter types.