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Predicted Biological Activity of Purchasable Chemical Space

[Image: see text] Whereas 400 million distinct compounds are now purchasable within the span of a few weeks, the biological activities of most are unknown. To facilitate access to new chemistry for biology, we have combined the Similarity Ensemble Approach (SEA) with the maximum Tanimoto similarity...

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Publicat a:J Chem Inf Model
Autors principals: Irwin, John J., Gaskins, Garrett, Sterling, Teague, Mysinger, Michael M., Keiser, Michael J.
Format: Artigo
Idioma:Inglês
Publicat: American Chemical Society 2017
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC5780839/
https://ncbi.nlm.nih.gov/pubmed/29193970
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.7b00316
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