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Quantitative Comparison of Three-Dimensional Activity Landscapes of Compound Data Sets Based upon Topological Features

[Image: see text] Visualization of structure–activity relationships (SARs) in compound data sets substantially contributes to their systematic analysis. For SAR visualization, different types of activity landscape (AL) representations have been introduced. Three-dimensional (3D) AL models in which a...

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Detalles Bibliográficos
Autores principales:	Iqbal, Javed, Vogt, Martin, Bajorath, Jürgen
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2020
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7513547/ https://www.ncbi.nlm.nih.gov/pubmed/32984733 http://dx.doi.org/10.1021/acsomega.0c03659

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