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Maximum common property: a new approach for molecular similarity

The maximum common property similarity (MCPhd) method is presented using descriptors as a new approach to determine the similarity between two chemical compounds or molecular graphs. This method uses the concept of maximum common property arising from the concept of maximum common substructure and i...

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Detalles Bibliográficos
Autores principales: Antelo-Collado, Aurelio, Carrasco-Velar, Ramón, García-Pedrajas, Nicolás, Cerruela-García, Gonzalo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7547443/
https://www.ncbi.nlm.nih.gov/pubmed/33372638
http://dx.doi.org/10.1186/s13321-020-00462-3