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Ligand-Based Virtual Screening Using Graph Edit Distance as Molecular Similarity Measure
[Image: see text] Extended reduced graphs provide summary representations of chemical structures using pharmacophore-type node descriptions to encode the relevant molecular properties. Commonly used similarity measures using reduced graphs convert these graphs into 2D vectors like fingerprints, befo...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6668628/ https://www.ncbi.nlm.nih.gov/pubmed/30920214 http://dx.doi.org/10.1021/acs.jcim.8b00820 |