RT Book,_Section
T1 Application of KNN algorithm in determining the total antioxidant capacity of flavonoid-containing foods
A1 Guardado Yordi, Estela
A1 Koeling, Raul
A1 Caballero Mota, Yailé
A1 Matos, Maria João Correia Pinto Carvalho de
A1 Santana Penín, María Lourdes
A1 Uriarte Villares, Eugenio
A1 Molina, Enrique
K1 Flavonoid
K1 Artificial intelligence
K1 MultiLayer Perceptron algorithm
K1 K-Nearest Neighbors algorithm
AB Flavonoids are bioactive compounds that can display antioxidant activity. Their must important source is the vegetal kingdom. Their composition in different foods is compiled into several databases organized by USDA. This information enabled the creation of a data record that was used in the work to predict the total antioxidant capacity of food by the oxygen radical absorbance capacity (ORAC) method, using algorithms of artificial intelligence. K-Nearest Neighbors (KNN) was used. The attributes were: a) amount of flavonoid, b) class of flavonoid, c) Trolox equivalent antioxidant capacity (TEAC) value, d) probability of clastogenicity and clastogenicity classification by Quantitative Structure-Activity Relationship (QSAR) method and e) total polyphenol (TP) value. The selected variable to predict was the ORAC value. For the prediction, a cross-validation method was used. For the KNN algorithm, the optimal K value was 3, making clear the importance of the similarity between objects for the success of the results. It was concluded the successful use of the KNN algorithm to predict the antioxidant capacity in the studied food groups
PB MDPI
SN 978-3-03842-145-0
YR 2015
FD 2015
LK http://hdl.handle.net/10347/25867
UL http://hdl.handle.net/10347/25867
LA eng
NO Guardado Yordi, E., Koeling, R., Caballero Mota, Y., Matos, M.J., Santana, L., Uriarte, E. & Molina, E. (2015). Application of KNN algorithm in determining the total antioxidant capacity of flavonoid-containing foods. In J.A. Seijas, M.P. Vázquez Tato & S.K. Lin, Proceedings ECSOC-19: The 19Th International Electronic Conference On Synthetic Organic Chemistry: November 1-30, 2015. MDPI. doi: 10.3390/ecsoc-19-e002
NO The 19th International Electronic Conference on Synthetic Organic Chemistry session Computational Chemistry
DS Minerva
RD 4 may 2026