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Empirical scoring functions based on either molecular force fields or cheminformatics descriptors are widely used, in conjunction with molecular docking, during the early stages of drug discovery to predict potency and binding affinity of a…

Machine Learning · Computer Science 2017-03-31 Joseph Gomes , Bharath Ramsundar , Evan N. Feinberg , Vijay S. Pande

We introduce a novel method to analyse complete genomes and recognise some distinctive features by means of an adaptive compression algorithm, which is not DNA-oriented. We study the Information Content as a function of the number of…

Genomics · Quantitative Biology 2007-05-23 Giulia Menconi

We present an automated method to track and identify neurons in C. elegans, called "fast Deep Learning Correspondence" or fDLC, based on the transformer network architecture. The model is trained once on empirically derived synthetic data…

Quantitative Methods · Quantitative Biology 2021-07-16 Xinwei Yu , Matthew S. Creamer , Francesco Randi , Anuj K. Sharma , Scott W. Linderman , Andrew M. Leifer

Inferring the structural properties of a protein from its amino acid sequence is a challenging yet important problem in biology. Structures are not known for the vast majority of protein sequences, but structure is critical for…

Machine Learning · Computer Science 2019-10-17 Tristan Bepler , Bonnie Berger

Genome sequencing technology has improved significantly in few last years and resulted in abundance genetic data. Artificial intelligence has been employed to analyze genetic data in response to its sheer size and variability. Gene…

Genomics · Quantitative Biology 2023-03-17 Muhammad Anwari Leksono , Ayu Purwarianti

Automated pavement crack detection is a challenging task that has been researched for decades due to the complicated pavement conditions in real world. In this paper, a supervised method based on deep learning is proposed, which has the…

Computer Vision and Pattern Recognition · Computer Science 2018-02-08 Zhun Fan , Yuming Wu , Jiewei Lu , Wenji Li

In recent years, deep learning has been a revolution in the field of machine learning, for computer vision in particular. In this approach, a deep (multilayer) artificial neural network (ANN) is trained in a supervised manner using…

Neural and Evolutionary Computing · Computer Science 2019-01-23 Amirhossein Tavanaei , Masoud Ghodrati , Saeed Reza Kheradpisheh , Timothee Masquelier , Anthony S. Maida

The interaction between Ribonucleic Acids (RNAs) and proteins, also called RNA Protein Interaction (RPI), plays an important role in the life activities of organisms, including in various regulatory processes, such as gene splicing, gene…

Quantitative Methods · Quantitative Biology 2024-10-02 Danyu Li , Rubing Huang , Chenhui Cui , Dave Towey , Ling Zhou , Jinyu Tian , Bin Zou

The increasing number of protein sequences decoded from genomes is opening up new avenues of research on linking protein sequence to function with transformer neural networks. Recent research has shown that the number of known protein…

Machine Learning · Computer Science 2022-06-23 Anowarul Kabir , Amarda Shehu

We apply deep learning for retrieval of the time-dependent bond length in the dissociating two-dimensional H$_2^{+}$ molecule using photoelectron momentum distributions. We consider a pump-probe scheme and calculate electron momentum…

Atomic Physics · Physics 2023-12-25 N. I. Shvetsov-Shilovski , M. Lein

As the number of dementia patients rises, the need for accurate diagnostic procedures rises as well. Current methods, like using an MRI scan, rely on human input, which can be inaccurate. However, the decision logic behind machine learning…

Image and Video Processing · Electrical Eng. & Systems 2024-06-28 Tyler Morris , Ziming Liu , Longjian Liu , Xiaopeng Zhao

The analysis of DNA sequences has become critical in numerous fields, from evolutionary biology to understanding gene regulation and disease mechanisms. While deep neural networks can achieve remarkable predictive performance, they…

Machine Learning · Computer Science 2026-04-15 Nicolas Huynh , Krzysztof Kacprzyk , Ryan Sheridan , David Bentley , Mihaela van der Schaar

The accurate prediction and characterization of DNA melting domains by computational tools could facilitate a broad range of biological applications. However, no algorithm for melting domain prediction has been available until now. The main…

Biomolecules · Quantitative Biology 2008-12-17 Eivind Tøstesen , Geir Kjetil Sandve , Fang Liu , Eivind Hovig

Graphs can be used to effectively represent complex data structures. Learning these irregular data in graphs is challenging and still suffers from shallow learning. Applying deep learning on graphs has recently showed good performance in…

Machine Learning · Computer Science 2020-09-16 Thosini Bamunu Mudiyanselage , Xiujuan Lei , Nipuna Senanayake , Yanqing Zhang , Yi Pan

When analyzing the genome, researchers have discovered that proteins bind to DNA based on certain patterns of the DNA sequence known as "motifs". However, it is difficult to manually construct motifs due to their complexity. Recently,…

Machine Learning · Computer Science 2017-02-23 Jack Lanchantin , Ritambhara Singh , Yanjun Qi

Gene Regulatory Networks (GRNs) are intricate biological systems that control gene expression and regulation in response to environmental and developmental cues. Advances in computational biology, coupled with high throughput sequencing…

Machine Learning · Computer Science 2025-04-18 Akshata Hegde , Tom Nguyen , Jianlin Cheng

DNA is a leading candidate as the next archival storage media due to its density, durability and sustainability. To read (and write) data DNA storage exploits technology that has been developed over decades to sequence naturally occurring…

Emerging Technologies · Computer Science 2022-05-12 Jasmine Quah , Omer Sella , Thomas Heinis

The analysis of correlations of amino acid occurrences in globular proteins has led to the development of statistical tools that can identify native contacts -- portions of the chains that come to close distance in folded structural…

Biomolecules · Quantitative Biology 2014-07-28 Rocío Espada , R. Gonzalo Parra , Thierry Mora , Aleksandra M. Walczak , Diego Ferreiro

Significant fraction (98.5% in humans) of most animal genomes is non- coding dark matter. Its largely unknown function (1-5) is related to programming (rather than to spontaneous mutations) of accurate adaptation to rapidly changing…

Genomics · Quantitative Biology 2007-08-02 Mark Ya. Azbel

Deep Learning (DL) algorithms hold great promise for applications in the field of computational biophysics. In fact, the vast amount of available molecular structures, as well as their notable complexity, constitutes an ideal context in…

Soft Condensed Matter · Physics 2019-01-07 Marco Giulini , Raffaello Potestio