636 Wash and filter molecules <p>The Wash and Filter workflow performs some processing on incoming structures to filter out those wildcards or unspecified atom types, standardise stereo and charges, and various other adjustments.</p> <p>This is an advance on the filter used in the paper...</p> <p><a href="http://www.sciencedirect.com/science/journal/13596446"><b>Drug Discovery Today</b></a><br /> <a href="http://www.sciencedirect.com/science?_ob=PublicationURL&amp;_tockey=%23TOC%235020%232009%23999859998%23809057%23FLA%23&amp;_cdi=5020&amp;_pubType=J&amp;view=c&amp;_auth=y&amp;_acct=C000010021&amp;_version=1&amp;_urlVersion=0&amp;_userid=121749&amp;md5=48764da7f022fc46f9ec9f35685dc92e"> Volume 14, Issues 1-2</a>, January 2009, Pages 31-40</p> <p><a href="http://dx.doi.org/10.1016/j.drudis.2008.10.011">&lsquo;Metabolite-likeness&rsquo; as a criterion in the design and selection of pharmaceutical drug libraries</a></p> <p>&nbsp;</p> Pipeline Pilot Paul Dobson Tue Jan 20 10:11:25 UTC 2009 http://www.myexperiment.org/workflows/636/versions/1/previews/full http://www.myexperiment.org/workflows/636/versions/1/previews/svg by-sa http://www.myexperiment.org/workflows/636/download/wash_and_filter_molecules_286541.xml application/octet-stream pipeline pilot metabolite-likeness