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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2021
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| Materias: | |
| 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 |