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32nd Conference on Neural Information Processing Systems, NeurIPS 2018

作者： Lindenbaum, Ofir Wolf, Guy Stanley, Jay S. Krishnaswamy, Smita Applied Mathematics Program Yale University New HavenCT06511 United States Computational Biology and Bioinformatics Program Yale University New HavenCT06510 United States Departments of Genetics and Computer Science Yale University New HavenCT06510 United States

We propose a new type of generative model for high-dimensional data that learns a manifold geometry of the data, rather than density, and can generate points evenly along this manifold. This is in contrast to existing generative models that represent data density, and are strongly affected by noise and other artifacts of data collection. We demonstrate how this approach corrects sampling biases and artifacts, thus improves several downstream data analysis tasks, such as clustering and classification. Finally, we demonstrate that this approach is especially useful in biology where, despite the advent of single-cell technologies, rare subpopulations and gene-interaction relationships are affected by biased sampling. We show that SUGAR can generate hypothetical populations, and it is able to reveal intrinsic patterns and mutual-information relationships between genes on a single-cell RNA sequencing dataset of hematopoiesis. © 2018 Curran Associates Inc..All rights reserved.

关键词： Genes

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Next generation sequencing for profiling expression of miRNAs: technical progress and applications in drug development

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Journal of Biomedical Science and Engineering 2011年第10期4卷 666-676页

作者： Jie Liu Steven F. Jennings Weida Tong Huixiao Hong University of Arkansas at Little Rock/University of Arkansas for Medical Sciences Bioinformatics Graduate Program Little Rock USA.

miRNAs are non-coding RNAs that play a regulatory role in expression of genes and are associated with diseases. Quantitatively measuring expression levels of miRNAs can help understanding the mechanisms of human diseases and discovering new drug targets. There are three major methods that have been used to measure the expression levels of miRNAs: real-time reverse transcription PCR (qRT-PCR), microarray, and the newly introduced next-generation sequencing (NGS). NGS is not only suitable for profiling of known miRNAs that qRT-PCR and microarray can do too but also able to detect unknown miRNAs that the other two methods are incapable. Profiling of miRNAs by NGS has been progressed rapidly and is a promising field for applications in drug development. This paper will review the technical advancement of NGS for profiling miRNAs, including comparative analyses between different platforms and software packages for analyzing NGS data. Examples and future perspectives of applications of NGS profiling miRNAs in drug development will be discussed.

关键词： MiRNAs Next-Generation Sequencing Expression Data Analysis Drug Development

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Finding pathway regulators: gene set approach using peak identification algorithms

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BMC proceedings 2007年第1期1 Suppl 1卷 S90页

作者： Eunjee Lee Jung Hoon Woo Ji Wan Park Taesung Park Interdisciplinary Program in Bioinformatics Seoul National University Seoul South Korea 151-747. eunjee01@***

Recently, a number of different approaches have been used to examine variation in gene expression and to identify genes whose level of transcript differed greatly among unrelated individuals. Previous studies have commonly focused on identifying determinants that regulate gene expressions by targeting individual genes. However, it is difficult to detect true differences in the level of gene expression among genotypes from noise due to issues such as multiple testing and limited sample size. To increase the statistical power for detecting this difference, we consider a 'gene set' approach by focusing on subtle but coordinated changes in gene expression across multiple genes rather than individual genes. We defined a 'gene set' as a set of genes in the same biological pathway and focused on identifying common regulators based on an assumption that the genes within the same pathway are controlled by common regulators. We applied the gene set approach to the expression data of mRNA in Centre d'Etude du Polymorphisme Humain lymphoblast cells to identify regulators controlling the genes in a biological pathway. Our gene set approach successfully identified potent regulators controlling gene expression in an inflammatory response pathway.

关键词： Significant Marker Common Regulator Common Peak Multipoint Linkage Analysis Significant eQTL

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Manifold learning-based methods for analyzing single-cell RNA-sequencing data

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Current Opinion in Systems Biology 2018年 7卷 36-46页

作者： Moon, Kevin R. Stanley, Jay S. Burkhardt, Daniel van Dijk, David Wolf, Guy Krishnaswamy, Smita Department of Genetics Yale University New Haven CT United States Applied Mathematics Program Yale University New Haven CT United States Computational Biology and Bioinformatics Program Yale University New Haven CT United States Department of Computer Science Yale University New Haven CT United States

Recent advances in single-cell RNA sequencing technologies enable deep insights into cellular development, gene regulation, and phenotypic diversity by measuring gene expression for thousands of cells in a single experiment. While these technologies hold great potential for improving our understanding of cellular states and progression, they also pose new challenges and require advanced mathematical and algorithmic tools to extract underlying biological signals. In this review, we cover one of the most promising avenues of research into unlocking the potential of scRNA-seq data: the field of manifold learning, and the related manifold assumption in data analysis. Manifold learning provides a powerful structure for algorithmic approaches to process the data, extract its dynamics, and infer patterns in it. In particular, we cover manifold learning-based methods for denoising the data, revealing gene interactions, extracting pseudotime progressions with model fitting, visualizing the cellular state space via dimensionality reduction, and clustering the data. © 2017 Published by Elsevier Ltd.

关键词： Data mining Gene regulatory networks Imputation Manifold learning Pseudotime trends Single cell RNA sequencing

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Understanding the binding of the same ligand to GPCRs of different families

Understanding the binding of the same ligand to GPCRs of dif...

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IEEE International Conference on bioinformatics and Biomedicine (BIBM)

作者： Kwabena Owusu Dankwah Jonathon E Mohl Khodeza Begum Ming-Ying Leung Computational Science Program The University of Texas at El Paso El Paso USA Bioinformatics Program Computational Science Program The University of Texas at El Paso El Paso USA Bioinformatics Program Border Biomedical Research Center The University of Texas at El Paso El Paso USA

ISBN: (纸本)9781665429825

G protein-coupled receptors (GPCRs) are the largest class of cell-surface receptor proteins with important functions in signal transduction and often serve as therapeutic drug targets. With the rapidly growing public data on three dimensional (3D) structures of GPCRs and GPCR-ligand interactions, computational prediction of GPCR ligand binding becomes a convincing option to high throughput screening and other experimental approaches during the beginning phases of ligand discovery. Such predictions are cost-efficient and can be important aides for planning wet lab experiments to help elucidate signaling pathways and expedite drug discovery. There are existing computational tools for GPCR ligand binding prediction using various sequence and structural derived features. However, these methods have been typically tested on specific families of GPCRs and none has focused on features that characterize binding of a single ligand to multiple GPCR families. In this work, we set out to uncover and understand the binding of the same ligand to multiple GPCRs of different families. As expected only a few GPCRs share a conserved sequence motif. We observed local 3D structural similarities and local sequence similarities. We also observed that the GPCRs within the same family share similar binding pockets for the ligand. Molecular docking revealed that a ligand can bind to GPCRs of different families with different poses but similar conformations. Finally, the ligands bind to similar pockets with similar electrostatic and solvation properties and share similar residues. These findings can be exploited to improve protein function inference, drug repurposing and drug toxicity prediction, and accelerate the development of new drugs.

关键词： Drugs Proteins Three-dimensional displays Toxicology Conferences Throughput Planning

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DYNAMIC VISUALIZATION OF PATHWAYS:USE DEATH-DOMAIN RELATED PATHWAYS AS AN EXAMPLE

DYNAMIC VISUALIZATION OF PATHWAYS:USE DEATH-DOMAIN RELATED P...

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The4thAsian-PacificOrgan...

作者： Kai-Lung Tang Der-Ming Liou Ueng-Cheng Yang Institute of Health Informatics and Decision Making Bioinformatics ProgramNational Yang-Ming UniversityTaipei Institute of Health Informatics and Decision Making Bioinformatics ProgramNational Yang-Ming UniversityTaipei Institute of Biochemistry Bioinformatics Research CenterNational Yang-Ming UniversityTaipei

＜正＞Most of the molecular, cellular, and developmental biology researches focus on studying the mechanism behind a biological phenomenon. The center of the above researches is thus a pathway-discovery and a pathway ...

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Comparison of K-Nearest Neighbor and Support Vector Regression for Predicting Oil Palm Yield 1

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International Conference on Innovative Technologies in Intelligent Systems and Industrial Applications, CITISIA 2022

作者： Pardamean, Bens Suparyanto, Teddy Sinaga, Gokma Sahat Tua Elwirehardja, Gregorius Natanael Firmansyah, Erick Ginting, Candra Mawandha, Hangger Gahara Putra, Dian Pratama Bioinformatics and Data Science Research Center Bina Nusantara University Jakarta11480 Indonesia Computer Science Department BINUS Graduate Program—Master of Computer Science Program Bina Nusantara University Jakarta11480 Indonesia Faculty of Agriculture Institute of Agriculture STIPER Yogyakarta55282 Indonesia

ISBN: (数字)9783031290787

ISBN: (纸本)9783031290770

With the high demand for oil palm production, implementations of Machine Learning (ML) technologies to provide accurate predictions and recommendations to assist oil palm plantation management tasks have become beneficial, such as in predicting annual oil palm. However, different geographical and meteorological conditions may result in different scales of influence for each variable. In this research, K-Nearest Neighbors (KNN) and Support Vector Regression (SVR) were used in predicting oil palm yield based on data collected in Riau, Indonesia. Pearson’s correlation coefficient was also calculated in selecting the input features for the models, whereas normalization and standardization were used in scaling the data. By setting the minimum absolute correlation threshold to 0.1 and using standardization, both models managed to obtain more than 0.81 R2, with SVR obtaining the overall best performance with 0.8709 R2, 1.372 MAE, and 1.8025 RMSE without hyperparameter fine-tuning. It was also discovered that the oil palm yield in the previous year is the variable with the most influence in estimating oil palm yield in the current year, followed by the number of plants and soil types. © The Author(s), under exclusive license to Springer Nature Switzerland AG 2023.

关键词： Machine learning

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Author Correction: AIVariant: a deep learning-based somatic variant detector for highly contaminated tumor samples

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Experimental & molecular medicine 2025年第1期57卷 284页

作者： Hyeonseong Jeon Junhak Ahn Byunggook Na Soona Hong Lee Sael Sun Kim Sungroh Yoon Daehyun Baek Interdisciplinary Program in Bioinformatics Seoul National University Seoul Republic of Korea. Genome4me Inc. Seoul Republic of Korea. School of Biological Sciences Seoul National University Seoul Republic of Korea. Department of Electrical and Computer Engineering Seoul National University Seoul Republic of Korea. AIGENDRUG Co. Ltd. Seoul Republic of Korea. Department of Software and Computer Engineering Ajou University Suwon Republic of Korea. Department of Computer Science and Engineering Seoul National University Seoul Republic of Korea. Interdisciplinary Program in Artificial Intelligence Seoul National University Seoul Republic of Korea. Interdisciplinary Program in Bioinformatics Seoul National University Seoul Republic of Korea. baek@snu.ac.kr. Genome4me Inc. Seoul Republic of Korea. baek@snu.ac.kr. School of Biological Sciences Seoul National University Seoul Republic of Korea. baek@snu.ac.kr. Interdisciplinary Program in Artificial Intelligence Seoul National University Seoul Republic of Korea. baek@snu.ac.kr.

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Data Mining and bioinformatics Approaches to Elucidate Bacterial Communities in the Extreme Environment

Data Mining and Bioinformatics Approaches to Elucidate Bacte...

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2023 International Conference on Informatics, Multimedia, Cyber and Information Systems, ICIMCIS 2023

作者： Trinugroho, Joko Pebrianto Hidayat, Alam Ahmad Nirwantono, Rudi Asadi, Faisal Pardamean, Bens Bina Nusantara University Bioinformatics and Data Science Research Center Jakarta11480 Indonesia Bina Nusantara University School of Computer Science Bioinformatics and Data Science Research Center Mathematics Department Jakarta11480 Indonesia Bina Nusantara University Faculty of Engineering Bioinformatics and Data Science Research Center Biotechnology Department Jakarta11480 Indonesia Bina Nusantara University School of Computer Science Bioinformatics and Data Science Research Center Computer Science Department Jakarta11480 Indonesia Bina Nusantara University Binus Graduate Program Computer Science Computer Science Department Jakarta11480 Indonesia

ISBN: (纸本)9798350307306

Bacteria are microscopic organisms that can be found in many environments. They are abundant and have many roles in our life. Studying bacteria is essential so that we can identify the bacteria that are needed for many industrial applications. However, the main problem is that majority of the bacteria are unculturable, hampering the exploration of bacteria from different environments. Metagenomics approach which employs Next Generation Sequencing technology could help study bacteria by utilizing 16S rRNA marker gene. This study aims to demonstrate data mining and bioinformatics approaches to analyze 16S rRNA sequencing data. The raw sequencing data of 16S rRNA was collected from biological database. Then, the data were trimmed, denoised, and clustered to generate Amplicon Sequence Variants (ASVs). Diversity (alpha and beta) and taxonomic analyses were then conducted to elucidate the bacterial diversity and taxonomic profile of ASVs. The results of this work showed that Shannon and PD indices in China's hot spring were higher than Singapore and the USA. Furthermore, a significant difference was observed in the PD index. The unweighted UniFrac distance also showed there was a significant difference of the bacterial communities between the three locations. In addition, the taxonomic investigation unveiled prevalent bacterial groups in the ecosystem, namely Proteobacteria, Chloroflexi, Cyanobacteria, and Crenarchaeota. The research outcomes have the potential to serve as a foundational resource for subsequent bacterial metagenomic research, particularly the hot spring environment. © 2023 IEEE.

关键词： Bacteria

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Surface spatial index structure of high-dimensional space

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5th International Conference on Intelligent Data Engineering and Automated Learning, IDEAL 2004

作者： An, Jiyuan Chen, Yi-Ping Phoebe Xu, Qinying Faculty of Science and Technology Deakin University VIC3125 Australia Australian Research Council Centre in Bioinformatics Australia Master’s Program in Science and Engineering University of Tsukuba Japan

ISBN: (纸本)3540228810

This paper proposes a spatial index structure based on a new space-partitioning method. Previous research proposed various high dimensional index structures. However, when dimensionality becomes high, the effectiveness of the spatial index structure disappears. This problem is called the "curse of dimensionality". This paper focuses on the fact that the volume of high dimensional space is mostly occupied by its surface and then proposes a new surface index structure. The utility of this new surface spatial index structure is illustrated through a series of experiments. © Springer-Verlag Berlin Heidelberg 2004.

关键词： Artificial intelligence

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