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Mining the ChEMBL Database: An Efficient Chemoinformatics Workflow for Assembling an Ion Channel-Focused Screening Library

[Image: see text] The ChEMBL database was mined to efficiently assemble an ion channel-focused screening library. The compiled library consists of 3241 compounds representing 123 templates across nine ion channel categories. Compounds in the screening library are annotated with their respective ion...

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Detalles Bibliográficos
Autores principales: Mok, N. Yi, Brenk, Ruth
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2011
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200031/
https://www.ncbi.nlm.nih.gov/pubmed/21978256
http://dx.doi.org/10.1021/ci200260t