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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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Detalhes bibliográficos
Publicado no:Nat Biotechnol
Main Authors: Duran-Frigola, Miquel, Pauls, Eduardo, Guitart-Pla, Oriol, Bertoni, Martino, Alcalde, Víctor, Amat, David, Juan-Blanco, Teresa, Aloy, Patrick
Formato: Artigo
Idioma:Inglês
Publicado em: 2020
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Acesso em linha: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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