Relevance of the Trillion-Sized Chemical Space “eXplore” as a Source for Drug Discovery
Author:
Affiliation:
1. BioSolveIT GmbH, An der Ziegelei 79, 53757 Sankt Augustin, Germany
2. eMolecules, 3430 Carmel Mountain Road, Suite 250, San Diego, California 92121, United States
Publisher
American Chemical Society (ACS)
Subject
Organic Chemistry,Drug Discovery,Biochemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acsmedchemlett.3c00021
Reference26 articles.
1. SAR by Space: Enriching Hit Sets from the Chemical Space
2. The next level in chemical space navigation: going far beyond enumerable compound libraries
3. Synthon-based ligand discovery in virtual libraries of over 11 billion compounds
4. Magnet for the Needle in Haystack: “Crystal Structure First” Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces
5. Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors
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