This category gathers free and commercial molecular databases for drug design and virtual screening purposes.
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- ZINC Free database of over 2.7 million commercially-available compounds for virtual screening in ready-to-dock, 3D format.
- eMolecules Free chemical structure search engine with millions of public domain structures from vendors worldwide.
- MMsINC Database A free web-oriented database of commercially-available compounds for virtual screening and chemoinformatic applications.