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Target prediction utilising negative bioactivity data covering large chemical space

BACKGROUND: In silico analyses are increasingly being used to support mode-of-action investigations; however many such approaches do not utilise the large amounts of inactive data held in chemogenomic repositories. The objective of this work is concerned with the integration of such bioactivity data...

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Bibliographische Detailangaben
Veröffentlicht in:J Cheminform
Hauptverfasser: Mervin, Lewis H., Afzal, Avid M., Drakakis, Georgios, Lewis, Richard, Engkvist, Ola, Bender, Andreas
Format: Artigo
Sprache:Inglês
Veröffentlicht: Springer International Publishing 2015
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Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC4619454/
https://ncbi.nlm.nih.gov/pubmed/26500705
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-015-0098-y
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