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...

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Detalles Bibliográficos
Autores principales: Garcia-Hernandez, Carlos, Fernández, Alberto, Serratosa, Francesc
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
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

Internet

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

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