Dedenser: A Python Package for Clustering and Downsampling Chemical Libraries
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DOI: 10.1021/acs.jcim.4c01980
Abstract: The screening of chemical libraries is an essential starting point in the drug discovery process. While some researchers desire a more thorough screening of drug targets against a narrower scope of molecules, it is not… read more here.
Keywords: chemical; chemical libraries; python package; dedenser python ... See more keywords