Identifying novel drugs that can interact with target proteins is a highly challenging, time-consuming, and costly task in drug discovery and development. Numerous machine learning-based models have recently been utilized to accelerate the drug discovery process. However, these existing methods are primarily uni-tasking, either designed to predict drug-target interaction (DTI) or generate new drugs. Through the lens of pharmacological research, these tasks are intrinsically interconnected and play a critical role in effective drug development. Therefore, the learning models must be utilized in such a manner to learn the structural properties of drug molecules, the conformational dynamics of proteins, and the bioactivity between drugs and targets. To this end, this paper develops a novel multitask learning framework that can predict drug-target binding affinities and simultaneously generate new target-aware drug variants, using common features for both tasks. In addition, we developed the FetterGrad algorithm to address the optimization challenges associated with multitask learning particularly those caused by gradient conflicts between distinct tasks. Comprehensive experiments on three real-world datasets demonstrate that the proposed model provides an effective mechanism for predicting drug-target binding affinities and generating novel drugs, thus greatly facilitating the drug discovery process.
The Internet of Medical Things (IoMT) has revolutionized Ambient Assisted Living (AAL) by interconnecting smart medical devices. These devices generate a large amount of data without human intervention. Learning-based sophisticated models are required to extract meaningful information from this massive surge of data. In this context, Deep Neural Network (DNN) has been proven to be a powerful tool for disease detection. Pulmonary Embolism (PE) is considered the leading cause of death disease, with a death toll of 180,000 per year in the US alone. It appears due to a blood clot in pulmonary arteries, which blocks the blood supply to the lungs or a part of the lung. An early diagnosis and treatment of PE could reduce the mortality rate. Doctors and radiologists prefer Computed Tomography (CT) scans as a first-hand tool, which contain 200 to 300 images of a single study for diagnosis. Most of the time, it becomes difficult for a doctor and radiologist to maintain concentration going through all the scans and giving the correct diagnosis, resulting in a misdiagnosis or false diagnosis. Given this, there is a need for an automatic Computer-Aided Diagnosis (CAD) system to assist doctors and radiologists in decision-making. To develop such a system, in this paper, we proposed a deep learning framework based on DenseNet201 to classify PE into nine classes in CT scans. We utilized DenseNet201 as a feature extractor and customized fully connected decision-making layers. The model was trained on the Radiological Society of North America (RSNA)-Pulmonary Embolism Detection Challenge (2020) Kaggle dataset and achieved promising results of 88%, 88%, 89%, and 90% in terms of the accuracy, sensitivity, specificity, and Area Under the Curve (AUC), respectively.
Parkinson’s disease (PD) is a chronic and progressive neurological disease that mostly shakes and compromises the motor system of the human brain. Patients with PD can face resting tremors, loss of balance, bradykinesia, and rigidity problems. Complex patterns of PD, i.e., with relevance to other neurological diseases and minor changes in brain structure, make the diagnosis of this disease a challenge and cause inaccuracy of about 25% in the diagnostics. The research community utilizes different machine learning techniques for diagnosis using handcrafted features. This paper proposes a computer-aided diagnostic system using a convolutional neural network (CNN) to diagnose PD. CNN is one of the most suitable models to extract and learn the essential features of a problem. The dataset is obtained from Parkinson’s Progression Markers Initiative (PPMI), which provides different datasets (benchmarks), such as T2-weighted MRI for PD and other healthy controls (HC). The mid slices are collected from each MRI. Further, these slices are registered for alignment. Since the PD can be found in substantia nigra (i.e., the midbrain), the midbrain region of the registered T2-weighted MRI slice is selected using the freehand region of interest technique with a 33 × 33 sized window. Several experiments have been carried out to ensure the validity of the CNN. The standard measures, such as accuracy, sensitivity, specificity, and area under the curve, are used to evaluate the proposed system. The evaluation results show that CNN provides better accuracy than machine learning techniques, such as naive Bayes, decision tree, support vector machine, and artificial neural network.
21 August 2025 in Computerized Medical Imaging and Graphics
The ongoing COVID-19 pandemic has already taken millions of lives and damaged economies across the globe. Most COVID-19 deaths and economic losses are reported from densely crowded cities. It is comprehensible that the effective control and prevention of epidemic/pandemic infectious diseases is vital. According to WHO, testing and diagnosis is the best strategy to control pandemics. Scientists worldwide are attempting to develop various innovative and cost-efficient methods to speed up the testing process. This paper comprehensively evaluates the applicability of the recent top ten state-of-the-art Deep Convolutional Neural Networks (CNNs) for automatically detecting COVID-19 infection using chest X-ray images. Moreover, it provides a comparative analysis of these models in terms of accuracy. This study identifies the effective methodologies to control and prevent infectious respiratory diseases. Our trained models have demonstrated outstanding results in classifying the COVID-19 infected chest x-rays. In particular, our trained models MobileNet, EfficentNet, and InceptionV3 achieved a classification average accuracy of 95\%, 95\%, and 94\% test set for COVID-19 class classification, respectively. Thus, it can be beneficial for clinical practitioners and radiologists to speed up the testing, detection, and follow-up of COVID-19 cases.
Complex adaptive network (CANs) is the collection of the interacting agents. These agents work under the influence of each other. One change in the behavior of an agent in a CAN can lead to the change in whole network. CANs are dynamic network as they have ability to adapt and grow in its environment. This paper survey different aspects of CANs like security, synchronization, agent base modeling and architecture of CANs. We group different attributes and show how team work among the nodes or agents in a CAN can lead to a larger adaptation in a network.