Choquet integral-based fuzzy molecular characterizations: when global definitions are computed from the dependency among atom/bond contributions (LOVIs/LOEIs)

BACKGROUND: Several topological (2D) and geometric (3D) molecular descriptors (MDs) are calculated from local vertex/edge invariants (LOVIs/LOEIs) by performing an aggregation process. To this end, norm-, mean- and statistic-based (non-fuzzy) operators are used, under the assumption that LOVIs/LOEIs...

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Detalhes bibliográficos
Publicado no:J Cheminform
Main Authors: García-Jacas, César R., Cabrera-Leyva, Lisset, Marrero-Ponce, Yovani, Suárez-Lezcano, José, Cortés-Guzmán, Fernando, Pupo-Meriño, Mario, Vivas-Reyes, Ricardo
Formato: Artigo
Idioma:Inglês
Publicado em: Springer International Publishing 2018
Assuntos:
Research Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6755596/
https://ncbi.nlm.nih.gov/pubmed/30362050
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-018-0306-7
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