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Ligand-Based Virtual Screening Based on the Graph Edit Distance

Chemical compounds can be represented as attributed graphs. An attributed graph is a mathematical model of an object composed of two types of representations: nodes and edges. Nodes are individual components, and edges are relations between these components. In this case, pharmacophore-type node des...

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Detalles Bibliográficos
Autores principales:	Rica, Elena, Álvarez, Susana, Serratosa, Francesc
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8658044/ https://www.ncbi.nlm.nih.gov/pubmed/34884555 http://dx.doi.org/10.3390/ijms222312751

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