Background: Affinity prediction between molecule and protein is an important step of virtual screening, which is usually called drug-target affinity (DTA) prediction. Its accuracy directly influences the progress of drug development. Sequence-based drug-target affinity prediction can predict the affinity according to protein sequence, which is fast and can be applied to large datasets. However, due to the lack of protein structure information, the accuracy needs to be improved. Results: The proposed model which is called WGNN-DTA can be competent in drug-target affinity (DTA) and compound-protein interaction (CPI) prediction tasks. Various experiments are designed to verify the performance of the proposed method in different scenarios, which proves that WGNN-DTA has the advantages of simplicity and high accuracy. Moreover, because it does not need complex steps such as multiple sequence alignment (MSA), it has fast execution speed, and can be suitable for the screening of large databases. Conclusion: We construct protein and molecular graphs through sequence and SMILES that can effectively reflect their structures. To utilize the detail contact information of protein, graph neural network is used to extract features and predict the binding affinity based on the graphs, which is called weighted graph neural networks drug-target affinity predictor (WGNN-DTA). The proposed method has the advantages of simplicity and high accuracy.

The prediction of drug–target affinity (DTA) is a crucial step for drug screening and discovery. In this study, a new graph-based prediction model named SAG-DTA (self-attention graph drug–target affinity) was implemented. Unlike previous graph-based methods, the proposed model utilized self-attention mechanisms on the drug molecular graph to obtain effective representations of drugs for DTA prediction. Features of each atom node in the molecular graph were weighted using an attention score before being aggregated as molecule representation. Various self-attention scoring methods were compared in this study. In addition, two pooing architectures, namely, global and hierarchical architectures, were presented and evaluated on benchmark datasets. Results of comparative experiments on both regression and binary classification tasks showed that SAG-DTA was superior to previous sequence-based or other graph-based methods and exhibited good generalization ability.

In the process of drug discovery, identifying the interaction between the protein and the novel compound plays an important role. With the development of technology, deep learning methods have shown excellent performance in various situations. However, the compound–protein interaction is complicated and the features extracted by most deep models are not comprehensive, which limits the performance to a certain extent. In this paper, we proposed a multiscale convolutional network that extracted the local and global features of the protein and the topological feature of the compound using different types of convolutional networks. The results showed that our model obtained the best performance compared with the existing deep learning methods.

The channel attention mechanism is widely used in deep learning. However, the existing channel attention mechanism directly performs the global average pooling and then full connection for all channels, which causes the local information to be ignored and the feature information cannot be reasonably assigned with the proper weights. This paper proposed a local channel attention module, based on the channel attention. This module focuses on the local information of the feature image, obtains the weight of each regional channel through convolution, and then integrates the information, so that the regional information can be fully utilized. Moreover, the local channel attention module is combined with the residual module, and the local channel attention residual network LSERNet is constructed to detect the abnormal state of the blast furnace tuyere image. With sufficient experiments on the collected datasets of the blast furnace tuyere, the results show that the proposed method can efficiently extract the feature information, and the recognition accuracy of the LSERNet model reached 98.59%. Further, our model achieved the highest accuracy, compared with SE-ResNet50, ResNet50, LSE-ResNeXt, SE-ResNeXt, and ResNeXt models.

In the steelmaking industry, the state of the blast furnace tuyere is an important basis for obtaining the internal information of the blast furnace. Traditional detections mainly rely on manual experience judgment, which is a time-consuming and tiring procedure for a human. In order to improve the efficiency of the detection, this paper is devoted to applying artificial intelligence methods to blast furnace anomaly detection. However, because of the low imaging degree of the abnormal state monitoring of the furnace mouth, the difference in the abnormal category is inconspicuous, and it is difficulty to extract the features with the existing intelligent models. To solve these problems, a novel and stable method is proposed in this paper to classify the image recognition of the abnormal state of the tuyere into one category; this is a new architecture that combines multiple technologies. For the fine-grained image classification task, an improved abnormal state recognition algorithm of the blast furnace tuyere based on the channel attention residual mechanism is proposed. In the model, the dataset is augmented by rotating it at random angles to balance the amount of data in each category; then, the residual module is used to integrate high- and low-order feature information and optimize the network; then, the multi-layer channel attention module is added based on the channel attention residual mechanism, and it obtains the optimal parameter combination of the model through k-fold cross-validation. Moreover, the number of channels was reduced by half after channel fusion, which could effectively reduce the model parameters and model complexity. It is shown in our experiments that the proposed method has an accuracy rate of 97.10% in identifying the abnormal state of the tuyere in our collection of blast furnace tuyere datasets. In order to test the performance of the proposed method, some existing models, such as SERNet, ResNeXt, and repVGG, are involved for comparison, and the proposed method has a better classification effect in comparison to them.

Protein–protein interactions (PPIs) are fundamental to biological processes, yet experimental determination of PPIs remains costly and labor-intensive. While computational methods have emerged as promising alternatives, sequence-based approaches face critical challenges: (1) effectively capturing long-range dependencies and critical biochemical patterns in variable-length sequences, and (2) balancing computational efficiency with sensitivity to subtle residue-level interactions. Here, we present Dual Protein Embedding-based Graph Model (DPEG), which leverages dynamic graph attention networks to enable robust sequence-driven PPI prediction. Unlike structure-dependent methods, DPEG operates solely on sequence data, bypassing the need for structural or domain annotations. Specifically, we employ ESM-2 to transform sequences into residue-level graphs, preserving evolutionary and physicochemical context. To address variable sequence lengths, we design a module that can represent protein sequences of arbitrary lengths as graph networks at the amino acid level. Further, a gated attention mechanism is introduced to adaptively refining residue representations. Finally, a dynamic attention mechanism prioritizes functionally critical motifs within the graph. Evaluated on four diverse PPI datasets spanning different species and interaction types, DPEG achieves state-of-the-art performance and demonstrates strong cross-dataset generalizability. By integrating deep sequence semantics with graph-based interaction modeling, DPEG advances sequence-only PPI prediction, offering a scalable and biologically plausible framework for proteome-wide studies.