2021
DOI: 10.1155/2021/6683051
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iMPTCE-Hnetwork: A Multilabel Classifier for Identifying Metabolic Pathway Types of Chemicals and Enzymes with a Heterogeneous Network

Abstract: Metabolic pathway is an important type of biological pathways. It produces essential molecules and energies to maintain the life of living organisms. Each metabolic pathway consists of a chain of chemical reactions, which always need enzymes to participate in. Thus, chemicals and enzymes are two major components for each metabolic pathway. Although several metabolic pathways have been uncovered, the metabolic pathway system is still far from complete. Some hidden chemicals or enzymes are not discovered in a ce… Show more

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Cited by 31 publications
(21 citation statements)
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“…. SVM [32][33][34][35][36][37][38] consists of several computational steps. First, it transforms the original data from a low-dimensional data space to a highdimensional data space.…”
Section: Support Vector Machine (Svm)mentioning
confidence: 99%
“…. SVM [32][33][34][35][36][37][38] consists of several computational steps. First, it transforms the original data from a low-dimensional data space to a highdimensional data space.…”
Section: Support Vector Machine (Svm)mentioning
confidence: 99%
“…After obtaining the outcomes of tenfold cross-validation, we calculated three measurements to assess the quality of results, including exact matching, accuracy, and hamming loss [ 25 – 27 ], which can be computed by where n denotes the overall number of samples, m stands for the number of labels ( m = 6 in this study), L i and L i â€Č represent the set of true labels and predicted labels of the i th sample, respectively,Δ stands for the set symmetric difference operation, and ∇ is defined as follows: …”
Section: Methodsmentioning
confidence: 99%
“…In detail, the first feature subset included the top feature in the list F , the second feature subset contained the top two features, and so forth. For each constructed feature subset, a random forest (RF) classifier was built based on samples represented by features in the subset and it was further evaluated by 10-fold cross-validation ( Kohavi, 1995 ; Li J. et al, 2020 ; Zhou et al, 2020 ; Liu et al, 2021 ; Pan et al, 2021 ; Zhang et al, 2021a , b , c ; Zhu et al, 2021 ). After testing all feature subsets, we obtained the optimal feature subset with the optimal performance.…”
Section: Methodsmentioning
confidence: 99%