Title
Choquet integral-based fuzzy molecular characterizations: when global definitions are computed from the dependency among atom/bond contributions (LOVIs/LOEIs).
Abstract
All in all, it can be concluded that the Choquet integral constitutes a prominent alternative to compute fuzzy 2D/3D-MDs from LOVIs/LOEIs. In this way, better characterizations of the compounds can be obtained, which will be ultimately useful in enhancing the modelling ability of existing traditional 2D/3D-MDs.
Year
DOI
Venue
2018
10.1186/s13321-018-0306-7
J. Cheminformatics
Keywords
Field
DocType
Aggregation operators,Choquet integral,Fuzzy measures,LOEIs,LOVIs,Molecular descriptors,QSAR,QuBiLS-MIDAS molecular descriptors,ToMoCoMD-CARDD software
Molecular descriptor,Data mining,Discrete mathematics,Vertex (geometry),Computer science,Fuzzy logic,Atom,Operator (computer programming),Invariant (mathematics),Choquet integral
Journal
Volume
Issue
ISSN
10
1
1758-2946
Citations 
PageRank 
References 
0
0.34
25
Authors
7