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

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

Abstract 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 LOV...

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Bibliographic Details
Main Authors: César R. García-Jacas, Lisset Cabrera-Leyva, Yovani Marrero-Ponce, José Suárez-Lezcano, Fernando Cortés-Guzmán, Mario Pupo-Meriño, Ricardo Vivas-Reyes
Format: Article
Language:English
Published: BMC 2018-10-01
Series:Journal of Cheminformatics
Subjects:
Aggregation operators
Choquet integral
Fuzzy measures
LOVIs
LOEIs
Molecular descriptors
Online Access:http://link.springer.com/article/10.1186/s13321-018-0306-7

Internet

http://link.springer.com/article/10.1186/s13321-018-0306-7

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