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Molecular docking is a structure-based computational drug design technique for predicting the interaction between a small molecule (ligand) and a macromolecule (receptor). Over the past three decades various docking software programs have…

Quantitative Methods · Quantitative Biology 2023-10-18 Katherine Ge , Dayna Olson , Michel F. Sanner

Recently, Antimicrobial peptides (AMPs) have been an area of interest in the researches, as the first line of defense against the bacteria. They are raising attention as an efficient way of fighting multidrug resistance. Discovering and…

Quantitative Methods · Quantitative Biology 2020-05-06 Neda Zarayeneh , Zahra Hanifeloo

Machine- and deep-learning approaches for biological sequences depend critically on transforming raw DNA, RNA, and protein FASTA files into informative numerical representations. However, this process is often fragmented across multiple…

Genomics · Quantitative Biology 2025-12-01 Hamid Ismail , Marwan Bikdash

Motivation: Automatic Anatomical Therapeutic Chemical (ATC) classification is a critical and highly competitive area of research in bioinformatics because of its potential for expediting drug develop-ment and research. Predicting an unknown…

Quantitative Methods · Quantitative Biology 2021-08-09 Loris Nanni , Alessandra Lumini , Sheryl Brahnam

New Attacks are increasingly used by attackers everyday but many of them are not detected by Intrusion Detection Systems as most IDS ignore raw packet information and only care about some basic statistical information extracted from PCAP…

Cryptography and Security · Computer Science 2023-04-04 Khloud Al Jallad

We propose a novel scheme for improving the word recognition accuracy using word image embeddings. We use a trained text recognizer, which can predict multiple text hypothesis for a given word image. Our fusion scheme improves the…

Computer Vision and Pattern Recognition · Computer Science 2020-10-28 Siddhant Bansal , Praveen Krishnan , C. V. Jawahar

De novo therapeutic design is challenged by a vast chemical repertoire and multiple constraints, e.g., high broad-spectrum potency and low toxicity. We propose CLaSS (Controlled Latent attribute Space Sampling) - an efficient computational…

Predicting ATP-Protein Binding sites in genes is of great significance in the field of Biology and Medicine. The majority of research in this field has been conducted through time- and resource-intensive 'wet experiments' in laboratories.…

Biomolecules · Quantitative Biology 2024-02-06 Shreyas V , Swati Agarwal

The identification of bitter peptides is crucial in various domains, including food science, drug discovery, and biochemical research. These peptides not only contribute to the undesirable taste of hydrolyzed proteins but also play key…

Quantitative Methods · Quantitative Biology 2025-10-30 Sarfraz Ahmad , Momina Ahsan , Muhammad Nabeel Asim , Andreas Dengel , Muhammad Imran Malik

Natural language processing models have attracted much interest in the deep learning community. This branch of study is composed of some applications such as machine translation, sentiment analysis, named entity recognition, question and…

Computation and Language · Computer Science 2020-07-22 Flávio Santos , Hendrik Macedo , Thiago Bispo , Cleber Zanchettin

The classification of amino acids and their sequence analysis plays a vital role in life sciences and is a challenging task. This article uses and compares state-of-the-art deep learning models like convolution neural networks (CNN), long…

Biomolecules · Quantitative Biology 2022-07-26 Sarwar Khan , Faisal Ghaffar , Imad Ali , Qazi Mazhar

In this paper we present the results of an experiment aimed to use machine learning methods to obtain models that can be used for the automatic classification of products. In order to apply automatic classification methods, we transformed…

Computation and Language · Computer Science 2025-02-28 Bogdan Oancea

We introduce Probabilistic FastText, a new model for word embeddings that can capture multiple word senses, sub-word structure, and uncertainty information. In particular, we represent each word with a Gaussian mixture density, where the…

Computation and Language · Computer Science 2018-06-11 Ben Athiwaratkun , Andrew Gordon Wilson , Anima Anandkumar

Peptides play a pivotal role in a wide range of biological activities through participating in up to 40% protein-protein interactions in cellular processes. They also demonstrate remarkable specificity and efficacy, making them promising…

Biomolecules · Quantitative Biology 2024-02-09 Song Yin , Xuenan Mi , Diwakar Shukla

Word embeddings are effective intermediate representations for capturing semantic regularities between words, when learning the representations of text sequences. We propose to view text classification as a label-word joint embedding…

Computation and Language · Computer Science 2018-05-14 Guoyin Wang , Chunyuan Li , Wenlin Wang , Yizhe Zhang , Dinghan Shen , Xinyuan Zhang , Ricardo Henao , Lawrence Carin

We developed an explainable deep learning framework integrating protein-protein interaction (PPI) network centrality metrics with node embeddings for cancer therapeutic target prioritization. A high-confidence PPI network was constructed…

Quantitative Methods · Quantitative Biology 2025-11-26 Adham M. Alkhadrawi , Kyungsu Kim , Arif M. Rahman , Fahad Mushabbab G. Alotaibi

Target-specific peptides, such as conotoxins, exhibit exceptional binding affinity and selectivity toward ion channels and receptors. However, their therapeutic potential remains underutilized due to the limited diversity of natural…

Biomolecules · Quantitative Biology 2025-05-07 Cheng Ge , Han-Shen Tae , Zhenqiang Zhang , Lu Lu , Zhijie Huang , Yilin Wang , Tao Jiang , Wenqing Cai , Shan Chang , David J. Adams , Rilei Yu

Clinical trials are central to medical progress because they help improve understanding of human health and the healthcare system. They play a key role in discovering new ways to detect, prevent, or treat diseases, and it is essential that…

Computation and Language · Computer Science 2025-10-16 Surya Tejaswi Yerramsetty , Almas Fathimah

In recent years, the growing complexity and scale of source code have rendered manual software vulnerability detection increasingly impractical. To address this challenge, automated approaches leveraging machine learning and code embeddings…

Software Engineering · Computer Science 2025-09-17 Talaya Farasat , Joachim Posegga

There are numerous peptides discovered through past decades, which exhibit antimicrobial and anti-cancerous tendencies. Due to these reasons, peptides are supposed to be sound therapeutic candidates. Some peptides can pose low metabolic…

Machine Learning · Computer Science 2020-12-14 Ali Raza , Hafiz Saud Arshad