?
Three-dimensional structures of carbohydrates and where to find them
International Journal of Molecular Sciences. 2020. Vol. 21. No. 20. Article 7702.
Shcherbinina S., Toukach Ph.
Analysis and systematization of accumulated data on carbohydrate structural diversity is a subject of great interest for structural glycobiology. Despite being a challenging task, development of computational methods for efficient treatment and management of spatial (3D) structural features of carbohydrates breaks new ground in modern glycoscience. This review is dedicated to approaches of chemo- and glyco-informatics towards 3D structural data generation, deposition and processing in regard to carbohydrates and their derivatives. Databases, molecular modeling and experimental data validation services, and structure visualization facilities developed for last five years are reviewed.
Zubov V., Вопросы лексикографии 2026 № 40 С. 64–86
The article addresses the problem of selecting and systematizing data for the study of pronunciation variation in contemporary Russian and proposes a solution in the form of a specialized database of codified equivalent pronunciation variants (e.g., simmétriya / simmetríya “symmetry”). The article presents a methodology for identifying, selecting, and organizing such variants into a database. ...
Added: July 23, 2026
Vanhaelen Q., Lin Y., Zhavoronkov A., ACS Medicinal Chemistry Letters 2020 Vol. 11 No. 8 P. 1496–1505
Generative adversarial networks (GANs), first published in 2014, are among the most important concepts in modern artificial intelligence (AI). Bridging deep learning and game theory, GANs are used to generate or “imagine” new objects with desired properties. Since 2016, multiple GANs with reinforcement learning (RL) have been successfully applied in pharmacology for de novo molecular design. Those ...
Added: June 1, 2026
Toukach P., Smirnova N. S., Zdorovenko E. L. et al., Analytical Chemistry 2026 Vol. 98 No. 15 P. 10988–10996
Pyruvylation is one of the immunochemically relevant modifications of O-antigens in bacterial and fungal cells. Therefore, fast and relatively simple analytical methods for identifying this modification are highly demanded. 13C NMR spectroscopy is the best candidate for this purpose, but its successful application requires using reference structures and reliable databases. In this work, we collected ...
Added: May 25, 2026
Malikov D., Krasnov L., Kiseleva M. et al., Scientific data 2026 Vol. 13 Article 727
Solubility is a crucial property of organic compounds, impacting their potential applications in synthetic chemistry, materials science and drug design. Moreover, in technological processes mixtures of solvents are often utilized, making the solubility assessment more complicated. Predicting solubility values in mixtures of solvents from a molecular structure can help to address this issue, although a ...
Added: May 19, 2026
Derkacheva A., Sakirkina M., Kraev G. et al., /. 2026.
Comprehensive data on natural hazards and their consequences are crucial for effective for risk assessment, adaptation planning, and emergency response. However, many countries face challenges with fragmented, inconsistent, and inaccessible data, particularly regarding local-scale events. To address this data gap in Russia, we developed an end-to-end processing pipeline that scrapes news from various online sources, ...
Added: April 28, 2026
Alshanskaia E., Martynova O., Portnova G. et al., Mendeley 2024
Eyetracking and vegetatics data in a cognitive load task
Published: 10 July 2024| Version 1
Description
Raw eyetracking and vegetatics data in a cognitive load task with additional false feedback in the second block. ...
Added: March 6, 2026
Toukach P., Arakelyan L. A., Egorova K. S. et al., Environmental Science and Technology Letters 2025 Vol. 12 No. 12 P. 1631–1635
Ionic liquids (ILs) are widely used in diverse scientific and industrial fields, yet many of these substances exhibit significant cytotoxicity, challenging their classification as “green solvents”. To facilitate access to established experimental cytotoxicity data on ILs, we present ILToxDB - a curated, open-access database containing 3844 cytotoxicity assay entries for 1224 ILs tested across 154 ...
Added: February 17, 2026
Kalyatin V., Интеллектуальная собственность. Авторское право и смежные права 2025 Т. 5 С. 53–59
Data annotation is an essential element of a database that ensures both the ability to efficiently search for information in the database and the training of artificial intelligence. This article is devoted to determining the place of annotation within the current civil legislation and addressing issues related to ensuring its legal protection. ...
Added: February 17, 2026
Maria Marakueva, Popova P., Data in Brief 2026 Vol. 65 Article 112508
Our objective is to create the most comprehensive database of Russian firms with the highest data frequency. We created the unique comprehensive database of quarterly financial statements for Russian firms, covering the period from 2014 to 2024. The dataset is assembled from Federal Tax Service of Russia (FNS), SPARK Interfax, Cbonds, and the Moscow Exchange. ...
Added: January 30, 2026
Sorokin P., Novikova V., Goshin M. E., Frontiers in Psychology 2025 Vol. 16 Article 1716164
Agency is a multidisciplinary concept denoting individual ability to initiate and carry out actions that transform one’s own life and social environment. Traditionally, in psychology, agency is viewed as an internal characteristic—a constellation of motives, attitudes, and cognitive schemas that drive human action. Studies of this sort focus on the desire to be active, the ...
Added: December 11, 2025
Rakhilina E. V., Гюласарян С. М., Бычкова П., Слово.ру: балтийский акцент 2025 Т. 16 № 2 С. 28–52
This study focuses on the Routinicon database as a digital tool for describing routines — a distinct class of formulaic phraseological units that represent reactions to or comments on standard extralinguistic situations. For instance, the formula Kogo ya vizhu! (Whom do I see!) serves as a reaction to an unexpected meeting, while Kto tam? (Who’s ...
Added: October 29, 2025
Krayushkin D. V., Казначеев П. А., Строганова С. М. et al., Геофизические процессы и биосфера 2025 Т. 24 № 3
During laboratory studies of many rock samples, it becomes necessary to develop an appropriate database. Adding new records and maintaining such databases is especially important when creating and updating mathematical and physical models describing hydrocarbon and ore deposits, gas storage facilities, engineering (in particular, transport, hydraulic, pipeline, etc.) structures, the development and operation of which ...
Added: September 21, 2025
Krasnov L., Malikov D., Kiseleva M. et al., Scientific data 2025 Vol. 12 Article 1236
Solubility is one of the key properties of organic compounds that determines their applications in chemistry, materials science and pharmaceuticals. However, predicting solubility values in any solvent except water from a molecular structure still remains a challenging task in modern cheminformatics, not least due to the lack of large and diverse datasets. In this study, ...
Added: July 15, 2025
Tatarin S., Krasnov L., Nykhrikova E. et al., Journal of Materials Chemistry C 2025 Vol. 13 No. 16 P. 8217–8227
Cyclometalated iridium(III) complexes are excellent emitters for organic light-emitting diodes (OLEDs), but the design of these compounds requires substantial cost and experimental efforts. In this work, we aimed at a simple and fast data-driven prediction of their luminescence properties based on the experimental data. To this end, we created a database (IrLumDB) that contains experimentally ...
Added: July 2, 2025
База данных “diachronicon” и ее возможности для исследования семантических переходов в русском языке
Budennaya E., Баркова Л. А., Дугричилов А. М. et al., В кн.: Семантические переходы в языках мира.: МАКС Пресс, 2024. Гл. 2 С. 18–27.
Added: May 29, 2025
Krayushkin D. V., Казначеев П. А., Белобородов Д. Е. et al., Горный информационно-аналитический бюллетень (научно-технический журнал) 2025 № 4 С. 152–169
Lab-scale rock testing includes processing of a huge variety of information. The increase in the number of tests, measured properties and other related information requires advanced approaches to such data processing and storage in the context of both data model architecture and modern tools of data base control. This study focuses on the current situation ...
Added: May 5, 2025
Albitskiy P., Vlasova E., Ivanenko A., , in: Teaching Russian Through STEM: Contexts, Tools, and ApproachesVol. 1st Edition.: L.: Routledge, 2024. Ch. 7 P. 159–182.
This chapter is a pedagogically oriented corpus-based study. It describes a method of selecting relevant vocabulary expressing causal relations in Academic Russian. Our study contributes to the corpus-based investigations of academic Russian texts and shows how computational techniques and language data analysis can be used to develop and simplify content-based and discipline-specific instruction for university ...
Added: April 24, 2025