Alignment-Free Method to Predict Enzyme Classes and Subclasses
[email protected]/Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto, 4169-007 Porto, Portugal
*
Authors to whom correspondence should be addressed.
Int. J. Mol. Sci. 2019, 20(21), 5389; https://doi.org/10.3390/ijms20215389
Received: 9 September 2019 / Revised: 21 October 2019 / Accepted: 23 October 2019 / Published: 29 October 2019
(This article belongs to the Special Issue QSAR and Chemoinformatics Tools for Modeling)
The Enzyme Classification (EC) number is a numerical classification scheme for enzymes, established using the chemical reactions they catalyze. This classification is based on the recommendation of the Nomenclature Committee of the International Union of Biochemistry and Molecular Biology. Six enzyme classes were recognised in the first Enzyme Classification and Nomenclature List, reported by the International Union of Biochemistry in 1961. However, a new enzyme group was recently added as the six existing EC classes could not describe enzymes involved in the movement of ions or molecules across membranes. Such enzymes are now classified in the new EC class of translocases (EC 7). Several computational methods have been developed in order to predict the EC number. However, due to this new change, all such methods are now outdated and need updating. In this work, we developed a new multi-task quantitative structure–activity relationship (QSAR) method aimed at predicting all 7 EC classes and subclasses. In so doing, we developed an alignment-free model based on artificial neural networks that proved to be very successful.
View Full-Text
Keywords:
QSAR; machine learning; artificial neural network; enzyme; enzyme classification; alignment-free
▼
Show Figures
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited
- Supplementary File 1:
ZIP-Document (ZIP, 6571 KiB)
MDPI and ACS Style
Concu, R.; Cordeiro, M.N.D.S. Alignment-Free Method to Predict Enzyme Classes and Subclasses. Int. J. Mol. Sci. 2019, 20, 5389. https://doi.org/10.3390/ijms20215389
AMA Style
Concu R, Cordeiro MNDS. Alignment-Free Method to Predict Enzyme Classes and Subclasses. International Journal of Molecular Sciences. 2019; 20(21):5389. https://doi.org/10.3390/ijms20215389
Chicago/Turabian StyleConcu, Riccardo; Cordeiro, M. N.D.S. 2019. "Alignment-Free Method to Predict Enzyme Classes and Subclasses" Int. J. Mol. Sci. 20, no. 21: 5389. https://doi.org/10.3390/ijms20215389
Find Other Styles
Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.
Search more from Scilit