Virtual screening libraries are usually some form of expanded chemical space meaning they contain real and previously unknown compounds. The article says the 12 million compounds screened virtually were commercially available, but I couldn’t see enough of the nature paper to verify. It could be that the virtual screening set was acquired from a private company, but that doesn’t necessarily mean all the compounds are known.
Virtual screening libraries are usually some form of expanded chemical space meaning they contain real and previously unknown compounds. The article says the 12 million compounds screened virtually were commercially available, but I couldn’t see enough of the nature paper to verify. It could be that the virtual screening set was acquired from a private company, but that doesn’t necessarily mean all the compounds are known.