Maximum common property: a new approach for molecular similarity

Maximum common property: a new approach for molecular similarity

Abstract 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 substruct...

Full description

Bibliographic Details
Main Authors: Aurelio Antelo-Collado, Ramón Carrasco-Velar, Nicolás García-Pedrajas, Gonzalo Cerruela-García
Format: Article
Language:English
Published: BMC 2020-10-01
Series:Journal of Cheminformatics
Subjects:
Maximum common property
Electrotopographic state index
Molecular similarity
Tanimoto function
Maximum common structure
Online Access:http://link.springer.com/article/10.1186/s13321-020-00462-3

Internet

http://link.springer.com/article/10.1186/s13321-020-00462-3

Similar Items