PAINS

Usage pfilter.pl input_structures.sdf

Work in progress- haven't fully tested. Parallel processing not set up yet.

Sieve definitions derived from the PAINS #

Created by www.macinchem.org based on http://blog.rguha.net/?p=850

New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS)

from Screening Libraries and for Their Exclusion in Bioassays

FILTER FAMILY A (Freq_Hit_5_morethan150.hits)

DOI: 10.1021/jm901137j