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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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Foilsithe in:J Cheminform
Main Authors: Antelo-Collado, Aurelio, Carrasco-Velar, Ramón, García-Pedrajas, Nicolás, Cerruela-García, Gonzalo
Formáid: Artigo
Teanga:Inglês
Foilsithe: Springer International Publishing 2020
Ábhair:
Rochtain Ar Líne:https://ncbi.nlm.nih.gov/pmc/articles/PMC7547443/
https://ncbi.nlm.nih.gov/pubmed/33372638
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-020-00462-3
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