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TableĀ 2 The number of distinct fragments and corresponding contexts in databases generated from the whole ChEMBL data set and its PAINS-less subset

From: CReM: chemically reasonable mutations framework for structure generation

RadiusChEMBLPAINS-less ChEMBL
135,833,16034,240,810
241,676,47339,800,734
351,730,96049,403,630
462,821,31659,971,431
574,168,16870,717,996