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Biomedical Informatics Commons™

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Full-Text Articles in Biomedical Informatics

Inferred Global Dense Residue Transition Graphs From Primary Structure Sequences Enable Protein Interaction Prediction Via Directed Graph Convolutional Neural Networks, Islam A. Ebeid, Haoteng Tang, Pengfei Gu Oct 2025

Inferred Global Dense Residue Transition Graphs From Primary Structure Sequences Enable Protein Interaction Prediction Via Directed Graph Convolutional Neural Networks, Islam A. Ebeid, Haoteng Tang, Pengfei Gu

Computer Science Faculty Publications

Introduction: Accurate prediction of protein-protein interactions (PPIs) is crucial for understanding cellular functions and advancing the development of drugs. While existing in-silico methods leverage direct sequence embeddings from Protein Language Models (PLMs) or apply Graph Neural Networks (GNNs) to 3D protein structures, the main focus of this study is to investigate less computationally intensive alternatives. This work introduces a novel framework for the downstream task of PPI prediction via link prediction.

Methods: We introduce a two-stage graph representation learning framework, ProtGram-DirectGCN. First, we developed ProtGram, a novel approach that models a protein's primary structure as a hierarchy of …


Symbol-Temporal Consistency Self-Supervised Learning For Robust Time Series Classification, Kevin Garcia, Cassandra Garza, Brooklyn Berry, Yifeng Gao Jan 2025

Symbol-Temporal Consistency Self-Supervised Learning For Robust Time Series Classification, Kevin Garcia, Cassandra Garza, Brooklyn Berry, Yifeng Gao

Computer Science Faculty Publications

The surge in the significance of time series in digital health domains necessitates advanced methodologies for extracting meaningful patterns and representations. Self-supervised contrastive learning has emerged as a promising approach for learning directly from raw data. However, time series data in digital health is known to be highly noisy, inherently involves concept drifting, and poses a challenge for training a generalizable deep learning model. In this paper, we specifically focus on data distribution shift caused by different human behaviors and propose a self-supervised learning framework that is aware of the bag-of-symbol representation. The bag-of-symbol representation is known for its insensitivity …


Msdrp: A Deep Learning Model Based On Multisource Data For Predicting Drug Response, Haochen Zhao, Xiaoyu Zhang, Qichang Zhao, Yaohang Li, Jianxin Wang Jan 2023

Msdrp: A Deep Learning Model Based On Multisource Data For Predicting Drug Response, Haochen Zhao, Xiaoyu Zhang, Qichang Zhao, Yaohang Li, Jianxin Wang

Computer Science Faculty Publications

Motivation: Cancer heterogeneity drastically affects cancer therapeutic outcomes. Predicting drug response in vitro is expected to help formulate personalized therapy regimens. In recent years, several computational models based on machine learning and deep learning have been proposed to predict drug response in vitro. However, most of these methods capture drug features based on a single drug description (e.g. drug structure), without considering the relationships between drugs and biological entities (e.g. target, diseases, and side effects). Moreover, most of these methods collect features separately for drugs and cell lines but fail to consider the pairwise interactions between drugs and cell …