Sep 2026· Proceedings of SPSTL SB RAS· 11 references
Abstract
The purpose of this article is to present a new method for preserving and promoting the scientific heritage of chemists: creation of an intelligent system (IS), based on artificial intellect (AI), for processing chemical literature, on the example of publications by Academician A. E. Favorsky. Libraries employ various models to preserve scientific heritage and popularize science – ranging from lectures, exhibitions, memorial libraries of scientists, and bibliographic databases of research publications to modern formats based on state-of-the-art generative AI patterns. The authors briefly describe the experience of the Central Scientific Library of the Federal Research Center Irkutsk Institute of Chemistry (Siberian Branch of the Russian Academy of Sciences) named after A. E. Favorsky in preserving the scientific heritage of chemists. The development of AI systems in the field of chemistry requires the creation of independent datasets based on verified information, as well as the development of intelligent systems for the machine analysis of chemical literature. The article justifies the selection of the works of an eminent organic chemist – Academician A. E. Favorsky – as a reliable primary source for creating benchmark-training datasets intended for the digitization and subsequent recognition of chemical graphs within his texts. It presents AI tools, being developed by the library for chemical text recognition, specifically the application of Optical Chemical Structure Recognition (OCSR) technologies to convert molecular graphs into a machine-readable format (SMILES). The library’s work in creating modern intellectual tools not only brings historical knowledge into digital circulation but also sparks the interest of younger generations in the profession of a research chemist.
The method, ECCOLA, is presented, which aims at making the high-level AI ethics principles more practical, making it possible for developers to more easily implement them in practice.
Ville Vakkuri, Kai-Kristian Kemell, P. Abrahamsson· EUROMICRO Conference on Soft...· 64 citations· ⚡6
The goal is to not only refine the accuracy of the LLM-based tool but also to underscore its potential in streamlining the software development lifecycle through proactive code improvement and education.
Z. Rasheed, Malik Abdul Sami, Muhammad Waseem et al.· arXiv.org· 62 citations· ⚡3
A comprehensive overview of how enhanced sampling methods are reshaping the field, with a particular focus on the data-driven construction of collective variables, is provided.
Kai Zhu, Enrico Trizio, Jintu Zhang et al.· Chemical Reviews· 58 citations
The use of large language models to automatically improve the user story quality in Austrian Post Group IT agile teams is explored, with a reference model for an Autonomous LLM-based Agent System developed and implemented at the company.
Zheying Zhang, M. Rayhan, Tomas Herda et al.· International Conference on...· 48 citations· ⚡4
This paper introduces a novel multi-AI-agent system designed to fully automate SLRs, and demonstrates how it substantially reduces the time and effort traditionally required for SLRs while maintaining comprehensiveness and precision.
Abdul Malik Sami, Z. Rasheed, Kai-Kristian Kemell et al.· arXiv.org· 44 citations· ⚡2
The proposed LLM-based multi-agent system automates qualitative data analysis process, creating opportunities for researchers and practitioners, and future improvements focus on enhancing multilingual performance and integrating continuous expert feedback.
Z. Rasheed, Muhammad Waseem, Aakash Ahmad et al.· arXiv.org· 41 citations
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