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 |
Name | Order | Citations | PageRank |
---|---|---|---|
César R. García-Jacas | 1 | 12 | 2.59 |
Lisset Cabrera-Leyva | 2 | 0 | 0.34 |
Yovani Marrero-Ponce | 3 | 54 | 8.38 |
José Suárez-Lezcano | 4 | 0 | 0.34 |
Fernando Cortés-Guzmán | 5 | 5 | 2.32 |
Mario Pupo-Meriño | 6 | 0 | 0.34 |
Ricardo Vivas-Reyes | 7 | 2 | 1.80 |