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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

Artificial Neural Network (ANN) based techniques have dominated state-of-the-art results in most problems related to computer vision, audio recognition, and natural language processing in the past few years, resulting in strong industrial…

Neural and Evolutionary Computing · Computer Science 2019-06-24 Khaled F. Hussain , Mohamed Yousef Bassyouni , Erol Gelenbe

Dendritic cells are antigen presenting cells that provide a vital link between the innate and adaptive immune system. Research into this family of cells has revealed that they perform the role of coordinating T-cell based immune responses,…

Artificial Intelligence · Computer Science 2010-07-05 Julie Greensmith , Uwe Aickelin , Steve Cayzer

Spectral embedding provides a framework for solving perceptual organization problems, including image segmentation and figure/ground organization. From an affinity matrix describing pairwise relationships between pixels, it clusters pixels…

Computer Vision and Pattern Recognition · Computer Science 2016-04-13 Michael Maire , Takuya Narihira , Stella X. Yu

A fundamental mistake in receptor theory has led to an enduring misunderstanding of how to estimate the affinity and efficacy of an agonist. These properties are inextricably linked and cannot be easily separated in any case where the…

Other Quantitative Biology · Quantitative Biology 2024-08-22 James P Higham , David Colquhoun

Deep convolutional neural networks (CNNs) have demonstrated impressive performance on many visual tasks. Recently, they became useful models for the visual system in neuroscience. However, it is still not clear what are learned by CNNs in…

Neurons and Cognition · Quantitative Biology 2020-02-19 Qi Yan , Yajing Zheng , Shanshan Jia , Yichen Zhang , Zhaofei Yu , Feng Chen , Yonghong Tian , Tiejun Huang , Jian K. Liu

Deep learning of artificial neural networks (ANNs) is creating highly functional processes that are, unfortunately, nearly as hard to interpret as their biological counterparts. Identification of functional modules in natural brains plays…

Neural and Evolutionary Computing · Computer Science 2023-02-28 Arend Hintze , Christoph Adami

This paper targets on the problem of set to set recognition, which learns the metric between two image sets. Images in each set belong to the same identity. Since images in a set can be complementary, they hopefully lead to higher accuracy…

Computer Vision and Pattern Recognition · Computer Science 2017-04-12 Yu Liu , Junjie Yan , Wanli Ouyang

Pre-trained protein models (PTPMs) represent a protein with one fixed embedding and thus are not capable for diverse tasks. For example, protein structures can shift, namely protein folding, between several conformations in various…

Artificial Intelligence · Computer Science 2022-02-08 Qiang Zhang , Zeyuan Wang , Yuqiang Han , Haoran Yu , Xurui Jin , Huajun Chen

In contrast to human vision, artificial neural networks (ANNs) remain relatively susceptible to adversarial attacks. To address this vulnerability, efforts have been made to transfer inductive bias from human brains to ANNs, often by…

Machine Learning · Computer Science 2024-12-16 Manshan Guo , Bhavin Choksi , Sari Sadiya , Alessandro T. Gifford , Martina G. Vilas , Radoslaw M. Cichy , Gemma Roig

Antibodies are Y-shaped proteins that protect the host by binding to specific antigens, and their binding is mainly determined by the Complementary Determining Regions (CDRs) in the antibody. Despite the great progress made in CDR design,…

Quantitative Methods · Quantitative Biology 2025-01-03 Lirong Wu , Haitao Lin , Yufei Huang , Zhangyang Gao , Cheng Tan , Yunfan Liu , Tailin Wu , Stan Z. Li

Protein-protein and protein nucleic acid interactions are vitally important for a wide range of biological processes, including regulation of gene expression, protein synthesis, and replication and assembly of many viruses. We have…

Machine Learning · Computer Science 2007-05-23 Michael Terribilini , Jae-Hyung Lee , Changhui Yan , Robert L. Jernigan , Susan Carpenter , Vasant Honavar , Drena Dobbs

Convolutional Neural Networks (CNNs) are a standard approach for visual recognition due to their capacity to learn hierarchical representations from raw pixels. In practice, practitioners often choose among (i) training a compact custom CNN…

Computer Vision and Pattern Recognition · Computer Science 2026-01-06 Annoor Sharara Akhand

Anticancer peptides (ACPs) are a group of peptides that exhibite antineoplastic properties. The utilization of ACPs in cancer prevention can present a viable substitute for conventional cancer therapeutics, as they possess a higher degree…

Machine Learning · Computer Science 2023-09-22 Onur Karakaya , Zeynep Hilal Kilimci

As protein therapeutics play an important role in almost all medical fields, numerous studies have been conducted on proteins using artificial intelligence. Artificial intelligence has enabled data driven predictions without the need for…

Quantitative Methods · Quantitative Biology 2023-03-30 Myeonghun Lee , Kyoungmin Min

Leveraging domain knowledge including fingerprints and functional groups in molecular representation learning is crucial for chemical property prediction and drug discovery. When modeling the relation between graph structure and molecular…

Machine Learning · Computer Science 2021-03-25 Yin Fang , Haihong Yang , Xiang Zhuang , Xin Shao , Xiaohui Fan , Huajun Chen

Nanopore resistive pulse sensors are emerging technologies for single-molecule protein sequencing. But they can hardly detect small post-translational modifications (PTMs) such as hydroxylation in single-molecule level. While a combination…

Quantitative Methods · Quantitative Biology 2024-01-09 Mulusew W. Yaltaye , Yingqi Zhao , Eva Bozo , Pei-Lin Xin , Vahid Farrah , Francesco De Angelis , Jian-An Huang

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

Binding energy is a fundamental thermodynamic property that governs molecular interactions, playing a crucial role in fields such as healthcare and the natural sciences. It is particularly relevant in drug development, vaccine design, and…

Quantum Physics · Physics 2025-08-06 Erico Souza Teixeira , Lucas Barros Fernandes , Yara Rodrigues Inácio

Artificial immune systems primarily mimic the adaptive nature of biological immune functions. Their ability to adapt to varying pathogens makes such systems a suitable choice for various robotic applications. Generally, AIS-based robotic…

Robotics · Computer Science 2012-02-21 Ali Raza , Benito R. Fernandez