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Prediction of the potency of mammalian cyclooxygenase inhibitors with ensemble proteochemometric modeling

Cyclooxygenases (COX) are present in the body in two isoforms, namely: COX-1, constitutively expressed, and COX-2, induced in physiopathological conditions such as cancer or chronic inflammation. The inhibition of COX with non-steroideal anti-inflammatory drugs (NSAIDs) is the most widely used treat...

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Publicat a:J Cheminform
Autors principals: Cortes-Ciriano, Isidro, Murrell, Daniel S, van Westen, Gerard JP, Bender, Andreas, Malliavin, Thérèse E
Format: Artigo
Idioma:Inglês
Publicat: Springer International Publishing 2015
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC4335128/
https://ncbi.nlm.nih.gov/pubmed/25705261
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-014-0049-z
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