A hierarchical multiclass support vector machine incorporated with holistic triple learning units

This paper proposes a new hierarchical learning structure, namely the holistic triple learning (HTL), for extending the binary support vector machine (SVM) to multi-classification problems. For an N-class problem, a HTL constructs a decision tree up to a depth of A leaf node of the decision tree is allowed to be placed with a holistic triple learning unit whose generalisation abilities are assessed and approved. Meanwhile, the remaining nodes in the decision tree each accommodate a standard binary SVM classifier. The holistic triple classifier is a regression model trained on three classes, whose training algorithm is originated from a recently proposed implementation technique, namely the least-squares support vector machine (LS-SVM). A major novelty with the holistic triple classifier is the reduced number of support vectors in the solution. For the resultant HTL-SVM, an upper bound of the generalisation error can be obtained. The time complexity of training the HTL-SVM is analysed, and is shown to be comparable to that of training the one-versus-one (1-vs.-1) SVM, particularly on small-scale datasets. Empirical studies show that the proposed HTL-SVM achieves competitive classification accuracy with a reduced number of support vectors compared to the popular 1-vs-1 alternative.

Multisubstrate adduct inhibitors: Drug design and biological tools

In drug discovery, different methods exist to create new inhibitors possessing satisfactory biological activity. The multisubstrate adduct inhibitor (MAI) approach is one of these methods, which consists of a covalent combination between analogs of the substrate and the cofactor or of the multiple substrates used by the target enzyme. Adopted as the first line of investigation for many enzymes, this method has brought insights into the enzymatic mechanism, structure, and inhibitory requirements. In this review, the MAI approach, applied to different classes of enzyme, is reported from the point of view of biological activity.