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Related papers: ECRECer: Enzyme Commission Number Recommendation a…

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A key challenge in enzyme annotation is identifying the biochemical reactions catalyzed by proteins. Most existing methods rely on Enzyme Commission (EC) numbers as intermediaries: they first predict an EC number and then retrieve the…

Machine Learning · Computer Science 2026-03-16 Zhenkun Shi , Jun Zhu , Dehang Wang , BoYu Chen , Qianqian Yuan , Zhitao Mao , Fan Wei , Weining Wu , Xiaoping Liao , Hongwu Ma

Predicting multiple functions labeled with Enzyme Commission (EC) numbers from the enzyme sequence is of great significance but remains a challenge due to its sparse multi-label classification nature, i.e., each enzyme is typically…

Biomolecules · Quantitative Biology 2025-06-09 Zhao Yang , Bing Su , Jiahao Chen , Ji-Rong Wen

Introduction: The extracellular matrix (ECM) is a networkof proteins and carbohydrates that has a structural and bio-chemical function. The ECM plays an important role in dif-ferentiation, migration and signaling. Several studies…

Quantitative Methods · Quantitative Biology 2022-02-17 Mohamed Ghafoor , Anh Nguyen

Accurate prediction of enzyme function is crucial for elucidating biological mechanisms and driving innovation across various sectors. Existing deep learning methods tend to rely solely on either sequence data or structural data and predict…

Quantitative Methods · Quantitative Biology 2024-08-14 Dingyi Rong , Wenzhuo Zheng , Bozitao Zhong , Zhouhan Lin , Liang Hong , Ning Liu

Enzymes are important proteins that catalyze chemical reactions. In recent years, machine learning methods have emerged to predict enzyme function from sequence; however, there are no standardized benchmarks to evaluate these methods. We…

Biomolecules · Quantitative Biology 2025-06-13 Jason Yang , Ariane Mora , Shengchao Liu , Bruce J. Wittmann , Anima Anandkumar , Frances H. Arnold , Yisong Yue

We are now witnessing significant progress of deep learning methods in a variety of tasks (or datasets) of proteins. However, there is a lack of a standard benchmark to evaluate the performance of different methods, which hinders the…

Machine Learning · Computer Science 2022-09-20 Minghao Xu , Zuobai Zhang , Jiarui Lu , Zhaocheng Zhu , Yangtian Zhang , Chang Ma , Runcheng Liu , Jian Tang

In communication and storage systems, error correction codes (ECCs) are pivotal in ensuring data reliability. As deep learning's applicability has broadened across diverse domains, there is a growing research focus on neural network-based…

Machine Learning · Computer Science 2023-08-28 Seong-Joon Park , Hee-Youl Kwak , Sang-Hyo Kim , Sunghwan Kim , Yongjune Kim , Jong-Seon No

Predictive Coding (PC) offers a brain-inspired alternative to backpropagation for neural network training, described as a physical system minimizing its internal energy. However, in practice, PC is predominantly digitally simulated,…

Machine Learning · Computer Science 2026-02-03 Cédric Goemaere , Gaspard Oliviers , Rafal Bogacz , Thomas Demeester

As experimental efforts are costly and time consuming, computational characterization of enzyme capabilities is an attractive alternative. We present and evaluate several machine-learning models to predict which of 983 distinct enzymes, as…

Cell Behavior · Quantitative Biology 2021-01-27 Gian Marco Visani , Michael C. Hughes , Soha Hassoun

During the past decade, with the significant progress of computational power as well as ever-rising data availability, deep learning techniques became increasingly popular due to their excellent performance on computer vision problems. The…

Quantitative Methods · Quantitative Biology 2017-07-20 Afshine Amidi , Shervine Amidi , Dimitrios Vlachakis , Vasileios Megalooikonomou , Nikos Paragios , Evangelia I. Zacharaki

Essential protein plays a crucial role in the process of cell life. The identification of essential proteins can not only promote the development of drug target technology, but also contribute to the mechanism of biological evolution. There…

Molecular Networks · Quantitative Biology 2020-05-20 Pengli Lu , JingJuan Yu

Computational screening of naturally occurring proteins has the potential to identify efficient catalysts among the hundreds of millions of sequences that remain uncharacterized. Current experimental methods remain time, cost and labor…

Quantitative Methods · Quantitative Biology 2024-02-13 Peter G. Mikhael , Itamar Chinn , Regina Barzilay

Enzymes, with their specific catalyzed reactions, are necessary for all aspects of life, enabling diverse biological processes and adaptations. Predicting enzyme functions is essential for understanding biological pathways, guiding drug…

Machine Learning · Computer Science 2024-10-02 Chenqing Hua , Bozitao Zhong , Sitao Luan , Liang Hong , Guy Wolf , Doina Precup , Shuangjia Zheng

The capability of accurate prediction of protein functions and properties is essential in the biotechnology industry, e.g. drug development and artificial protein synthesis, etc. The main challenges of protein function prediction are the…

Quantitative Methods · Quantitative Biology 2021-12-02 Wei-Cheng Tseng , Po-Han Chi , Jia-Hua Wu , Min Sun

Bacterial growth depends crucially on metabolic fluxes, which are limited by the cell's capacity to maintain metabolic enzymes. The necessary enzyme amount per unit flux is a major determinant of metabolic strategies both in evolution and…

Molecular Networks · Quantitative Biology 2017-02-08 Elad Noor , Avi Flamholz , Arren Bar-Even , Dan Davidi , Ron Milo , Wolfram Liebermeister

Computational protein design (CPD) refers to the use of computational methods to design proteins. Traditional methods relying on energy functions and heuristic algorithms for sequence design are inefficient and do not meet the demands of…

Machine Learning · Computer Science 2024-10-30 Xiaoqi Ling , Cheng Cai , Demin Kong , Zhisheng Wei , Jing Wu , Lei Wang , Zhaohong Deng

Electrocardiogram (ECG) analysis plays a vital role in the early detection, monitoring, and management of various cardiovascular conditions. While existing models have achieved notable success in ECG interpretation, they fail to leverage…

Machine Learning · Computer Science 2026-03-05 Yuhao Xu , Xiaoda Wang , Jiaying Lu , Sirui Ding , Defu Cao , Huaxiu Yao , Yan Liu , Xiao Hu , Carl Yang

Publicly available collections of drug-like molecules have grown to comprise 10s of billions of possibilities in recent history due to advances in chemical synthesis. Traditional methods for identifying "hit" molecules from a large…

Many DNN-enabled vision applications constantly operate under severe energy constraints such as unmanned aerial vehicles, Augmented Reality headsets, and smartphones. Designing DNNs that can meet a stringent energy budget is becoming…

Machine Learning · Computer Science 2019-04-09 Haichuan Yang , Yuhao Zhu , Ji Liu

Objective: Imbalances of the electrolyte concentration levels in the body can lead to catastrophic consequences, but accurate and accessible measurements could improve patient outcomes. While blood tests provide accurate measurements, they…

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