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A visual approach for analysis and inference of molecular activity spaces

BACKGROUND: Molecular space visualization can help to explore the diversity of large heterogeneous chemical data, which ultimately may increase the understanding of structure-activity relationships (SAR) in drug discovery projects. Visual SAR analysis can therefore be useful for library design, chem...

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Detalles Bibliográficos
Autores principales: Kausar, Samina, Falcao, Andre O.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6805449/
https://www.ncbi.nlm.nih.gov/pubmed/33430986
http://dx.doi.org/10.1186/s13321-019-0386-z