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Extending the small-molecule similarity principle to all levels of biology with the Chemical Checker

Small molecules are usually compared by their chemical structure, but there is no unified analytic framework for representing and comparing their biological activity. We present the Chemical Checker (CC), which provides processed, harmonized and integrated bioactivity data on ~800,000 small molecule...

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Bibliografski detalji
Izdano u:Nat Biotechnol
Glavni autori: Duran-Frigola, Miquel, Pauls, Eduardo, Guitart-Pla, Oriol, Bertoni, Martino, Alcalde, Víctor, Amat, David, Juan-Blanco, Teresa, Aloy, Patrick
Format: Artigo
Jezik:Inglês
Izdano: 2020
Teme:
Online pristup:https://ncbi.nlm.nih.gov/pmc/articles/PMC7616951/
https://ncbi.nlm.nih.gov/pubmed/32440005
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41587-020-0502-7
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