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2D Depiction of Fragment Hierarchies

[Image: see text] Drug discovery projects often involve organizing compounds in the form of a hierarchical tree, where each node is a substructure fragment shared by all of its descendent nodes. A method is described for producing 2D depiction layout coordinates for each of the nodes in such a tree,...

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Detalles Bibliográficos
Autor principal: Clark, Alex M.
Formato: Texto
Lenguaje:English
Publicado: American Chemical Society 2009
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2810838/
https://www.ncbi.nlm.nih.gov/pubmed/20038186
http://dx.doi.org/10.1021/ci900350h