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It has been estimated that about 30% of the genes in the human genome are regulated by microRNAs (miRNAs). These are short RNA sequences that can down-regulate the levels of mRNAs or proteins in animals and plants. Genes regulated by miRNAs…

Applications · Statistics 2011-01-10 Francesco C. Stingo , Yian A. Chen , Marina Vannucci , Marianne Barrier , Philip E. Mirkes

This article addresses reaction networks in which spatial and stochastic effects are of crucial importance. For such systems, particle-based models allow us to describe all microscopic details with high accuracy. However, they suffer from…

Machine learning for molecular property prediction has focused largely on pure compounds, even though many practical applications depend on mixtures with intermolecular interactions. Recent work has expanded the availability of mixture…

Machine Learning · Computer Science 2026-05-29 Roel J. Leenhouts , Nathan K. Morgan , William Green , Jan G. Rittig , Florence H. Vermeire

Molecular property prediction plays a fundamental role in drug discovery to identify candidate molecules with target properties. However, molecular property prediction is essentially a few-shot problem which makes it hard to use regular…

Machine Learning · Computer Science 2021-11-12 Yaqing Wang , Abulikemu Abuduweili , Quanming Yao , Dejing Dou

Crosslinking Mass Spectrometry (MS) can uncover protein-protein interactions and provide structural information on proteins in their native cellular environments. Despite its promise, the field remains hampered by inconsistent data formats,…

Motivation: Protein-to-genome alignment is critical to annotating genes in non-model organisms. While there are a few tools for this purpose, all of them were developed over ten years ago and did not incorporate the latest advances in…

Genomics · Quantitative Biology 2022-12-29 Heng Li

RNA, whose functionality is largely determined by its structure, plays an important role in many biological activities. The prediction of pairwise structural proximity between each nucleotide of an RNA sequence can characterize the…

Quantitative Methods · Quantitative Biology 2024-01-22 Yiren Jian , Chongyang Gao , Chen Zeng , Yunjie Zhao , Soroush Vosoughi

Understanding how small molecules perturb gene expression is essential for uncovering drug mechanisms, predicting off-target effects, and identifying repurposing opportunities. While prior deep learning frameworks have integrated multimodal…

Machine Learning · Computer Science 2026-01-01 Pascal Passigan , Kevin Zhu , Angelina Ning

Our world is ambiguous and this is reflected in the data we use to train our algorithms. This is particularly true when we try to model natural processes where collected data is affected by noisy measurements and differences in measurement…

Machine Learning · Computer Science 2023-07-19 Jörg K. H. Franke , Frederic Runge , Frank Hutter

Accurate RNA structure modeling remains difficult because RNA backbones are highly flexible, non-canonical interactions are prevalent, and experimentally determined 3D structures are comparatively scarce. We introduce \emph{RiboSphere}, a…

Machine Learning · Computer Science 2026-03-23 Zhou Zhang , Hanqun Cao , Cheng Tan , Fang Wu , Pheng Ann Heng , Tianfan Fu

We propose a new method for multivariate response regression and covariance estimation when elements of the response vector are of mixed types, for example some continuous and some discrete. Our method is based on a model which assumes the…

Methodology · Statistics 2022-03-04 Karl Oskar Ekvall , Aaron J. Molstad

Many signalling functions in molecular biology require proteins bind to substrates such as DNA in response to environmental signals such as the simultaneous binding to a small molecule. Examples are repressor proteins which may transmit…

Biomolecules · Quantitative Biology 2009-11-10 Rhoda J. Hawkins , Thomas C. B. McLeish

In this article, we propose a class of semiparametric mixture regression models with single-index. We argue that many recently proposed semiparametric/nonparametric mixture regression models can be considered special cases of the proposed…

Methodology · Statistics 2016-10-04 Sijia Xiang , Weixin Yao

Questions of understanding and quantifying the representation and amount of information in organisms have become a central part of biological research, as they potentially hold the key to fundamental advances. In this paper, we demonstrate…

Genomics · Quantitative Biology 2007-10-30 H. M. Aktulga , I. Kontoyiannis , L. A. Lyznik , L. Szpankowski , A. Y. Grama , W. Szpankowski

In chemical processing and bioprocessing, conventional online sensors are limited to measure only basic process variables like pressure and temperature, pH, dissolved O and CO$_2$ and viable cell density (VCD). The concentration of other…

Quantitative Methods · Quantitative Biology 2020-05-07 Semion Rozov

Deep learning approaches achieved significant progress in predicting protein structures. These methods are often applied to protein-protein interactions (PPIs) yet require Multiple Sequence Alignment (MSA) which is unavailable for various…

Machine Learning · Computer Science 2024-06-27 Matan Halfon , Tomer Cohen , Raanan Fattal , Dina Schneidman-Duhovny

The training of deep-learning-based text classification models relies heavily on a huge amount of annotation data, which is difficult to obtain. When the labeled data is scarce, models tend to struggle to achieve satisfactory performance.…

Computation and Language · Computer Science 2020-04-07 Dianbo Sui , Yubo Chen , Binjie Mao , Delai Qiu , Kang Liu , Jun Zhao

RNA function is tied to secondary structure, operating through dynamic and heterogeneous structural ensembles. While current analysis tools typically output single static structures or averaged contact maps, chemical probing methods like…

Biomolecules · Quantitative Biology 2026-05-20 Giuseppe Sacco , Jianhui Li , Redmond P. Smyth , Guido Sanguinetti , Giovanni Bussi

HDONA technology is predicated on two ideas. First, the differential between high-affinity (perfect match, PM) and lower-affinity (mismatch, MM) probes is used to minimize cross-hybridization. Second, several short probes along the…

Biological Physics · Physics 2009-11-07 Felix Naef , Marcelo O. Magnasco

Cluster analysis of biological samples using gene expression measurements is a common task which aids the discovery of heterogeneous biological sub-populations having distinct mRNA profiles. Several model-based clustering algorithms have…

Methodology · Statistics 2012-01-30 Alberto Cozzini , Ajay Jasra , Giovanni Montana