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Add a curated set of PAINS filters to the RDKit #555

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greglandrum opened this issue Aug 9, 2015 · 1 comment

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greglandrum commented Aug 9, 2015

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greglandrum added the enhancement label

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greglandrum added this to the 2015_09_1 milestone

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greglandrum commented Aug 9, 2015

Data are here: https://github.com/rdkit/rdkit/tree/master/Data/Pains

Some information about the development of that set in #544

greglandrum closed this as completed

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