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Exploring Structural Relationships between Bioactive and Commercial Chemical Space and Developing Target Hypotheses for Compound Acquisition

[Image: see text] Analog series were systematically extracted from more than 650 000 bioactive compounds originating from medicinal chemistry and screening sources and more than 3.6 million commercial compounds that were not biologically annotated. Then, analog series-based (ASB) scaffolds were gene...

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Detalhes bibliográficos
Publicado no:ACS Omega
Main Authors: Cerchia, Carmen, Dimova, Dilyana, Lavecchia, Antonio, Bajorath, Jürgen
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2017
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6044811/
https://ncbi.nlm.nih.gov/pubmed/30023563
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.7b01338
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