ZINC

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ZINC is a free database of commercially-available compounds for virtual screening. ZINC contains over 230 million purchasable compounds in ready-to-dock, 3D formats. ZINC also contains over 750 million purchasable compounds that can be searched for analogs. Source: ZINC15 Image Source: https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.5b00559

Interactive

벤치마크

Graph Regression on ZINC-500k 결과 36개

Graph Regression on ZINC 결과 27개

Graph Regression on ZINC-full 결과 19개

Graph Regression on ZINC 100k 결과 8개

Graph Ranking on ZINC 결과 4개