The United Institute of Informatics Problems offers consumers access to a deep learning neural network for computer-aided design of potential drugs through a specialized application under an outsourcing and/or subcontracting agreement and is looking for partners to conclude a distribution services agreement.

A team of young scientists, including Daniil Vorobyov, a junior research intern at the United Institute of Informatics Problems of the National Academy of Sciences of Belarus (UIIP), Ksenia Reut, a student in the Faculty of Applied Mathematics and Informatics at the Belarusian State University (BSU), and Anna Karpenko, a research fellow at UIIP, have developed an app for accessing a deep learning neural network for the computer-aided design of potential drugs.

The app allows any researcher with access to the project's website to easily and quickly obtain models of thousands of new compounds specific to a specific protein responsible for the development of a disease. The resulting compounds are automatically evaluated for their protein binding efficiency using computer methods, an essential step in modern research. The user is required to provide a 3D model of the protein and basic parameters for assessing binding efficiency.

The project to create an app for generating potential drugs was a laureate of the 13th National Youth Competition "100 Ideas for Belarus."

The project presentation can be found here.

Specialists at the United Institute of Informatics Problems of the National Academy of Sciences of Belarus are actively using neural networks and the power of Belarusian supercomputers to accelerate and reduce the cost of developing new drugs.

The main advantages of United Institute of Informatics Problems technologies are:

Accelerated molecule search: Neural networks enable virtual screening of millions of chemical compounds, instantly eliminating unpromising candidates.

Cost reduction: Traditional manual searches and laboratory tests require enormous financial investments. Modeling reduces costs in the early stages of development.

Property prediction: Joint Institute for Informatics and Problems algorithms predict the biological activity and toxicity of compounds even before actual experiments begin.

Targeting specific diseases: The institute's technologies are already being used to search for drugs against coronavirus, HIV, tuberculosis, and certain oncological targets.

Generation of new structures: AI not only searches existing databases but can also "construct" entirely new molecules with specified characteristics.

The developed technologies make it possible to train networks on medical data without the risk of disclosing patients' personal information (using closed sources).

The United Institute of Informatics Problems of the National Academy of Sciences of Belarus is the leading organization in the Republic of Belarus for fundamental and applied research in the field of information technologies: design automation, applied mathematics, supercomputer technologies, bioinformatics and medical informatics, geographic information systems, digital cartography, information space technologies, Grid- technologies. The Institute is a provider of the scientific and educational Internet in Belarus, participates in the development of recommendations on the use of the results of scientific research, scientific support for informatization processes in the Republic of Belarus, the development of forecasts in the relevant fields of science and technology, and the training of highly qualified personnel.

Scientific directions:
- automation of engineering systems design;
- processing and recognition of signals, images, speech;
- geoinformation systems;
- input and output of video information;
- operations research and discrete optimization;
- data protection;
- decision-making in emergency situations;
- bio- and medical informatics;
- computer networks, databases and telematic applications;
- supercomputer technologies and parallel computing, Grid technologies;
- information and reference systems.

The strategic goal of the UIIP NAS of Belarus is the creation and implementation of systems developed on the basis of modern scientific theories and methods of information technology. At the same time, the main directions are the development and creation of high-performance systems and advanced technical base of network technologies based on the principles of GRID and cloud computing. Integration of high-performance computing resources of the institute into the European and world network will create conditions for the export of services to other countries. Another important export factor should be the computing complexes and systems created in the laboratories of the institute and designed as a finished hardware and/or software product. The areas of application of these products are automation of the full life cycle of products in industry and electronics, medical informatics, space information systems, information systems in management and government, public information services, and others.

Along with the expansion of scientific and technical cooperation with partners from the CIS countries, Western and Eastern Europe, much attention was paid to expanding the geography of scientific and technical cooperation and entering new markets for scientific and technical products (China, the countries of the Persian Gulf and a number of other countries).

The strategic goal of the implementation of international projects is to increase the competitiveness of domestic scientific and technical products, their promotion to the world market, the maximum attraction of foreign investment in the research sector of the Republic of Belarus.

Consumers interested in purshasing services to provide access to a deep learning neural network for the computer-aided design of potential drug candidates through a specialized application under an outsourcing agreement and/or subcontracting.

Partners interested in purshasing services to provide access to a deep learning neural network for the computer-aided design of potential drug candidates through a specialized application under a distribution services agreement.