Investigation of PAINS filter with pharmaceutical company data set

PAINS filter is well know molecular filter to remove promiscuous compounds for HTS. Many computational tools implement PAINS filter as a drug like filter. I also use the filter but I do not confirm the reliability with our in house dataset. Here is a report from researchers in Lilly about investigation of PAINS filter withContinue reading “Investigation of PAINS filter with pharmaceutical company data set”

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