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Searching Chemical Spaces to Boost Drug Development

November 20, 2019 / LARISSA WARNECK

In drug discoverers’ jargon, large collections of molecules are known as chemical spaces. Whereas chemical spaces only contained a few million molecules some years ago, they now hold tens of billions of molecules. In addition, previously “virtual” molecules can now be purchased and produced on demand. And, while the process of searching chemical spaces used to be slow and tedious, and involved a great computational effort, today, even laptops can search through huge spaces in a short amount of time.