A Multimodal Neural Fusion Framework by Integrating T-CNN and L-DL for Drug Discovery
S.V. Divya, B. Selvapriya, P. Venkadesh, J. Manoj Balaji, S. Yazhini, S. M. · 2025
With the pace of artificial intelligence and big data analytics, artificial intelligence is easily revolutionizing the drug discovery process. Conventional approaches usually rely on static representations of data that fail to capture complex dynamics within biological systems or temporal evolution of interactions between drugs. In this paper a novel multimodal neural fusion framework for adding a temporal dimension into the realm of drug discovery is proposed. With heterogeneous types of data: chemical, biological, genomic, and clinical data, the framework can learn to understand drug interactions and patient-specific responses. Innovations include dynamic Graph Neural Network for time-evolving molecular interactions modeling, Temporal Convolutional Neural Networks(T-CNN) to capture time-dependent features, and the L-DL component focuses on chronic disease outcomes. Label Distribution Learning (LDL) is a machine learning paradigm where each instance is associated with a label distribution representing the degree of relevance of multiple labels. The proposed architecture supports drug effects to be analyzed real-time, enables treatment to be devised on a per-patient basis, and allows clinical trials to adapt their strategy based on evolving treatment effects. We showcase this framework with extensive experiments by achieving higher predictive accuracy compared to other state-of-the-art approaches and demonstrating how it could be the paradigm shift in drug discovery science. This approach does not only overcome the limitation of existing methodologies but also opens up avenues for personalized medicine in clinical settings. The proposed method achieved an accuracy of 94.7%, with precision, recall, and F1-score improvements of 92.3%, 93.5%, and 92.9%, respectively, surpassing existing approaches in drug discovery.