Selecting compounds for the chemical library is the foundation of high-throughput screening (HTS). After some years and multiple HTS campaigns, many molecules in the Novartis and NIH Molecular Libraries Program screening collections have never been found to be active. An in-depth exploration of the bioactivity of this 'dark matter' does in fact reveal some compounds of interest.
References
Wassermann, A.M. et al. Nat. Chem. Biol. doi:10.1038/nchembio.1936 (19 October 2015).
Polishchuk, P.G. et al. J. Comput. Aided Mol. Des. 27, 675–679 (2013).
Huggins, D.J. et al. ACS Chem. Biol. 6, 208–217 (2011).
Baell, J.B. & Holloway, G.A. J. Med. Chem. 53, 2719–2740 (2010).
Leeson, P.D. & Springthorpe, B. Nat. Rev. Drug Discov. 6, 881–890 (2007).
Author information
Authors and Affiliations
Corresponding author
Ethics declarations
Competing interests
The author declares no competing financial interests.
Rights and permissions
About this article
Cite this article
Macarron, R. How dark is HTS dark matter?. Nat Chem Biol 11, 904–905 (2015). https://doi.org/10.1038/nchembio.1937
Published:
Issue Date:
DOI: https://doi.org/10.1038/nchembio.1937
- Springer Nature America, Inc.
This article is cited by
-
“Molecular Anatomy”: a new multi-dimensional hierarchical scaffold analysis tool
Journal of Cheminformatics (2021)