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Substructure search in chemical compound databases is a fundamental task in cheminformatics with critical implications for fields such as drug discovery, materials science, and toxicology. However, the increasing size and complexity of…

Databases · Computer Science 2023-10-04 Vsevolod Vaskin , Dmitri Jakovlev , Fedor Bakharev

Materials science workflows rely on structured and unstructured data from the vast body of available scientific literature. However, most of the experimental details remain buried in text, tables, graphs and figures. Thus, constructing…

Computation and Language · Computer Science 2026-05-07 Achuth Chandrasekhar , Omid Barati Farimani , Radheesh Sharma Meda , Amir Barati Farimani

The article presents a systematic review of the results of the development of the theoretical basis and the pilot implementation of data storage technology with automatic replenishment of data from sources belonging to different thematic…

Databases · Computer Science 2021-03-30 V. K. Ivanov

High-throughput computational materials design promises to greatly accelerate the process of discovering new materials and compounds, and of optimizing their properties. The large databases of structures and properties that result from…

Chemical Physics · Physics 2016-11-22 Sandip De , Felix Musil , Teresa Ingram , Carsten Baldauf , Michele Ceriotti

Bio image analysis has recently become one keystone of biological research but biologists tend to get lost in a plethora of available software and the way to adjust available tools to their own image analysis problem. We present BIII,…

Living organisms rely on molecular networks, such as gene circuits and signaling pathways, for information processing and robust decision-making in crowded, noisy environments. Recent advances show that interacting biomolecules…

Researchers in biomedical research, public health, and the life sciences often spend weeks or months discovering, accessing, curating, and integrating data from disparate sources, significantly delaying the onset of actual analysis and…

The web, through many search engine sites, has popularized the keyword-based search paradigm, where a user can specify a string of keywords and expect to retrieve relevant documents, possibly ranked by their relevance to the query. Since a…

Databases · Computer Science 2007-05-23 N. L. Sarda , Ankur Jain

Species distribution models (SDMs), which aim to predict species occurrence based on environmental variables, are widely used to monitor and respond to biodiversity change. Recent deep learning advances for SDMs have been shown to perform…

Machine Learning · Computer Science 2025-11-14 Catherine Villeneuve , Benjamin Akera , Mélisande Teng , David Rolnick

Real-time databases deal with time-constrained data and time-constrained transactions. The design of this kind of databases requires the introduction of new concepts to support both data structures and the dynamic behaviour of the database.…

Databases · Computer Science 2010-02-25 Nizar Idoudi , Nada louati , Claude Duvallet , Bruno Sadeg , Rafik Bouaziz , Faiez Gargouri

Property graphs often contain tree-shaped substructures, yet they are not captured by existing proposals for graph schemas; likewise, query languages and query engines offer little-to-no native support for managing them systematically. As a…

This paper presents a tool, TyDI, and methods experimented in the building of a termino-ontology, i.e. a lexicalized ontology aimed at fine-grained indexation for semantic search applications. TyDI provides facilities for knowledge…

Artificial Intelligence · Computer Science 2020-10-05 Claire Nédellec , Wiktoria Golik , Sophie Aubin , Robert Bossy

Indexing massive data sets is extremely expensive for large scale problems. In many fields, huge amounts of data are currently generated, however extracting meaningful information from voluminous data sets, such as computing similarity…

Data Structures and Algorithms · Computer Science 2017-03-27 Camille Marchet , Lolita Lecompte , Antoine Limasset , Lucie Bittner , Pierre Peterlongo

Massive Multi-Omics Microbiome Database (M3DB) is a data warehousing and analytics solution designed to handle diverse, complex, and unprecedented volumes of sequence and taxonomic classification data obtained in a typical microbiome…

Other Quantitative Biology · Quantitative Biology 2015-12-14 Shaun W. Norris , Steven P. Bradley , Hardik I. Parikh , Nihar U. Sheth

There is a wide range of available biological databases developed by bioinformatics experts, employing different methods to extract biological data. In this paper, we investigate and evaluate the performance of some of these methods in…

Databases · Computer Science 2022-02-08 Raja A. Moftah , Abdelsalam M. Maatuk , Richard White

Despite recent molecular technique improvements, biological knowledge remains incomplete. Reasoning on living systems hence implies to integrate heterogeneous and partial informations. Although current investigations successfully focus on…

Quantitative Methods · Quantitative Biology 2009-09-29 Jérémie Bourdon , Damien Eveillard , Samuel Gabillard , Theo Merle

The purpose of data warehouses is to enable business analysts to make better decisions. Over the years the technology has matured and data warehouses have become extremely successful. As a consequence, more and more data has been added to…

Databases · Computer Science 2012-07-03 Lukas Blunschi , Claudio Jossen , Donald Kossman , Magdalini Mori , Kurt Stockinger

The technological landscape changes daily, making it nearly impossible for a single person to be aware of all trends or available tools that may or may not be suitable for their software project. This makes tool selection and architectural…

Software Engineering · Computer Science 2025-09-15 Sebastian Copei , Oliver Hohlfeld , Jens Kosiol

Designing novel proteins with desired characteristics remains a significant challenge due to the large sequence space and the complexity of sequence-function relationships. Efficient exploration of this space to identify sequences that meet…

Machine Learning · Computer Science 2026-03-04 Erik Hartman , Di Tang , Johan Malmström

During genomics life science research, the data volume of whole genomics and life science algorithm is going bigger and bigger, which is calculated as TB, PB or EB etc. The key problem will be how to store and analyze the data with…

Databases · Computer Science 2017-02-01 Hao Li