New publication: “Comparison of Large Chemical Spaces”

September 17, 2019 14:39

How do you find out the overlap between vast chemical spaces that are too big to apply classical methods? In this recent article a novel way to compare chemical spaces utilizing a panel of query compounds is described and applied to three different spaces, all bigger than 10 billion compounds. Get insight into their structural overlap, their coverage of the chemical universe, and their density from the article.

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