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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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Detalles Bibliográficos
Autores principales: Cerchia, Carmen, Dimova, Dilyana, Lavecchia, Antonio, Bajorath, Jürgen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2017
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6044811/
https://www.ncbi.nlm.nih.gov/pubmed/30023563
http://dx.doi.org/10.1021/acsomega.7b01338