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
Variants: ZINC, ZINC 100k, ZINC-500k, ZINC-full
This dataset is used in 2 benchmarks:
Recent papers with results on this dataset: