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Understanding the morphological changes of primary neuronal cells induced by chemical compounds is essential for drug discovery. Using the data from a single high-throughput imaging assay, a classification model for predicting the…

Image and Video Processing · Electrical Eng. & Systems 2019-09-02 Andrey Kormilitzin , Xinyu Yang , William H. Stone , Caroline Woffindale , Francesca Nicholls , Elena Ribe , Alejo Nevado-Holgado , Noel Buckley

Protein representation learning is a challenging task that aims to capture the structure and function of proteins from their amino acid sequences. Previous methods largely ignored the fact that not all amino acids are equally important for…

Machine Learning · Computer Science 2024-04-02 Ruijie Quan , Wenguan Wang , Fan Ma , Hehe Fan , Yi Yang

Proteins are macromolecules that mediate a significant fraction of the cellular processes that underlie life. An important task in bioengineering is designing proteins with specific 3D structures and chemical properties which enable…

Quantitative Methods · Quantitative Biology 2022-05-31 Namrata Anand , Tudor Achim

Deep learning is an important method for molecular design and exhibits considerable ability to predict molecular properties, including physicochemical, bioactive, and ADME/T (absorption, distribution, metabolism, excretion, and toxicity)…

Molecular Networks · Quantitative Biology 2022-05-10 Hanxuan Cai , Huimin Zhang , Duancheng Zhao , Jingxing Wu , Ling Wang

Research in bioinformatics is a complex phenomenon as it overlaps two knowledge domains, namely, biological and computer sciences. This paper has tried to introduce an efficient data mining approach for classifying proteins into some useful…

Computational Engineering, Finance, and Science · Computer Science 2011-11-11 Muhammad Mahbubur Rahman , Arif Ul Alam , Abdullah-Al-Mamun , Tamnun E Mursalin

Deep Neural Networks (DNNs) are widely used for decision making in a myriad of critical applications, ranging from medical to societal and even judicial. Given the importance of these decisions, it is crucial for us to be able to interpret…

Computer Vision and Pattern Recognition · Computer Science 2022-11-28 Teddy Koker , Fatemehsadat Mireshghallah , Tom Titcombe , Georgios Kaissis

Identify the cells' nuclei is the important point for most medical analyses. To assist doctors finding the accurate cell' nuclei location automatically is highly demanded in the clinical practice. Recently, fully convolutional neural…

Computer Vision and Pattern Recognition · Computer Science 2019-11-25 Tianyang Zhang , Rui Ma

Accurate classification of fine-grained images remains a challenge in backbones based on convolutional operations or self-attention mechanisms. This study proposes novel dual-current neural networks (DCNN), which combine the advantages of…

Computer Vision and Pattern Recognition · Computer Science 2024-05-08 Da Fu , Mingfei Rong , Eun-Hu Kim , Hao Huang , Witold Pedrycz

This study proposes a deep learning model based on the combination of convolutional neural network (CNN) and bidirectional long short-term memory network (BiLSTM) for discriminant analysis of financial systemic risk. The model first uses…

Machine Learning · Computer Science 2025-02-12 Yu Cheng , Zhen Xu , Yuan Chen , Yuhan Wang , Zhenghao Lin , Jinsong Liu

Generative modeling has become a central paradigm in protein research, extending machine learning beyond structure prediction toward sequence design, backbone generation, inverse folding, and biomolecular interaction modeling. However, the…

Machine Learning · Computer Science 2026-03-30 Senura Hansaja Wanasekara , Minh-Duong Nguyen , Xiaochen Liu , Nguyen H. Tran , Ken-Tye Yong

Structure based ligand discovery is one of the most successful approaches for augmenting the drug discovery process. Currently, there is a notable shift towards machine learning (ML) methodologies to aid such procedures. Deep learning has…

Machine Learning · Statistics 2018-06-12 Marta M. Stepniewska-Dziubinska , Piotr Zielenkiewicz , Pawel Siedlecki

Recent technological advancements in data acquisition tools allowed life scientists to acquire multimodal data from different biological application domains. Broadly categorized in three types (i.e., sequences, images, and signals), these…

Quantitative Methods · Quantitative Biology 2020-03-03 Mufti Mahmud , M Shamim Kaiser , Amir Hussain

Predicting gene function from its DNA sequence is a fundamental challenge in biology. Many deep learning models have been proposed to embed DNA sequences and predict their enzymatic function, leveraging information in public databases…

We present an automated approach for identifying and annotating motifs and domains in protein sequences, using pretrained Protein Language Models (PLMs) and Concept Activation Vectors (CAVs), adapted from interpretability research in…

Quantitative Methods · Quantitative Biology 2025-11-27 Ahmad Shamail , Claire D. McWhite

The application of machine learning techniques to the medical domain is especially challenging due to the required level of precision and the incurrence of huge risks of minute errors. Employing these techniques to a more complex subdomain…

Computer Vision and Pattern Recognition · Computer Science 2021-10-19 Ekta Gavas , Kaustubh Olpadkar

Complexes of physically interacting proteins are one of the fundamental functional units responsible for driving key biological mechanisms within the cell. Their identification is therefore necessary not only to understand complex formation…

Computational Engineering, Finance, and Science · Computer Science 2012-11-27 Sriganesh Srihari , Hon Wai Leong

Learning effective protein representations is critical in a variety of tasks in biology such as predicting protein function or structure. Existing approaches usually pretrain protein language models on a large number of unlabeled amino acid…

Machine Learning · Computer Science 2023-01-31 Zuobai Zhang , Minghao Xu , Arian Jamasb , Vijil Chenthamarakshan , Aurelie Lozano , Payel Das , Jian Tang

Background: The inception of next generations sequencing technologies have exponentially increased the volume of biological sequence data. Protein sequences, being quoted as the `language of life', has been analyzed for a multitude of…

Quantitative Methods · Quantitative Biology 2020-12-08 Nabil Ibtehaz , S. M. Shakhawat Hossain Sourav , Md. Shamsuzzoha Bayzid , M. Sohel Rahman

Given the complexity and lack of transparency in deep neural networks (DNNs), extensive efforts have been made to make these systems more interpretable or explain their behaviors in accessible terms. Unlike most reviews, which focus on…

Artificial Intelligence · Computer Science 2024-01-17 Haoyi Xiong , Xuhong Li , Xiaofei Zhang , Jiamin Chen , Xinhao Sun , Yuchen Li , Zeyi Sun , Mengnan Du

Nanopore protein sequencing produces long, noisy ionic current traces in which key molecular phases, such as protein capture and translocation, are embedded. Capture phases mark the successful entry of a protein into the pore and serve as…

Machine Learning · Computer Science 2025-11-04 Annabelle Martin , Daphne Kontogiorgos-Heintz , Jeff Nivala