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1.
Brief Bioinform ; 25(3)2024 Mar 27.
Article in English | MEDLINE | ID: mdl-38754409

ABSTRACT

Drug repurposing offers a viable strategy for discovering new drugs and therapeutic targets through the analysis of drug-gene interactions. However, traditional experimental methods are plagued by their costliness and inefficiency. Despite graph convolutional network (GCN)-based models' state-of-the-art performance in prediction, their reliance on supervised learning makes them vulnerable to data sparsity, a common challenge in drug discovery, further complicating model development. In this study, we propose SGCLDGA, a novel computational model leveraging graph neural networks and contrastive learning to predict unknown drug-gene associations. SGCLDGA employs GCNs to extract vector representations of drugs and genes from the original bipartite graph. Subsequently, singular value decomposition (SVD) is employed to enhance the graph and generate multiple views. The model performs contrastive learning across these views, optimizing vector representations through a contrastive loss function to better distinguish positive and negative samples. The final step involves utilizing inner product calculations to determine association scores between drugs and genes. Experimental results on the DGIdb4.0 dataset demonstrate SGCLDGA's superior performance compared with six state-of-the-art methods. Ablation studies and case analyses validate the significance of contrastive learning and SVD, highlighting SGCLDGA's potential in discovering new drug-gene associations. The code and dataset for SGCLDGA are freely available at https://github.com/one-melon/SGCLDGA.


Subject(s)
Neural Networks, Computer , Humans , Drug Repositioning/methods , Computational Biology/methods , Algorithms , Software , Drug Discovery/methods , Machine Learning
2.
Micromachines (Basel) ; 14(3)2023 Feb 26.
Article in English | MEDLINE | ID: mdl-36984954

ABSTRACT

Wall-climbing robots have been well-developed for storage tank inspection. This work presents a backstepping sliding-mode control (BSMC) strategy for the spatial trajectory tracking control of a wall-climbing robot, which is specially designed to inspect inside and outside of cylindrical storage tanks. The inspection robot is designed with four magnetic wheels, which are driven by two DC motors. In order to achieve an accurate spatial position of the robot, a multisensor-data-fusion positioning method is developed. The new control method is proposed with kinematics based on a cylindrical coordinate system as the robot is moving on a cylindrical surface. The main purpose is to promote a smooth and stable tracking performance during inspection tasks, under the consideration of the robot's kinematic constraints and the magnetic restrictions of the adhesion system. The simulation results indicate that the proposed sliding mode controller can quickly correct the errors and global asymptotic stability is achieved. The prototype experimental results further validate the advancement of the proposed method; the wall-climbing robot can track both longitudinal and horizontal spatial trajectories stably with high precision.

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