AiNeuroChem
AI for Accelerating Chemical Research and Development
AiNeuroChem
AI for Accelerating Chemical Research and Development
RU
ZH
Molecular Property Prediction
Precisely predict physicochemical and biological
properties without real experiments
Molecular Optimization
Screen optimal molecular structures to achieve target
characteristics
Reaction
Prediction
Accurately forecast chemical reaction yields and optimal
synthesis conditions
Formulation Optimization
Develop optimal formulations and preparations for
various industrial sectors
AiNeuroChem is transforming chemical research through artificial intelligence, offering revolutionary solutions for molecular discovery and material development. Our advanced AI-powered platform addresses the critical challenges facing modern chemical research and development.
Benefits for Your Company
Accelerate R&D 3–5x
Reduce time-to-market by minimizing the number of required lab iterations.
Flexible deployment
Cloud or on-premise options depending on security requirements.
Industry customization
Models tailored to the specific needs of each industry.
Risk resilience
Full independence from foreign services and suppliers ensures
stability under geopolitical uncertainty.
Technology: Advanced AI Solutions
Our technology not only analyzes existing molecules but also generates new ones based on given parameters, with integration into laboratory information management systems (LIMS).
Graph Neural Networks (GNNs) 
Analysis of complex molecular structures with spatial interactions.
Transformer
models
Modern architectures for processing sequences and structural information.
Reversible
pipelines
Forward-backward prediction for generating molecules with desired properties.
Challenges
Low predictability
Experimental uncertainty leads to numerous iterations.
Significant financial losses
A single research project costs companies at least 5-10+K$
Lengthy development cycles
The development of new molecules and materials takes years and requires extensive resources.
NEWS
The forum, which was held in a hybrid format — face-to-face and online, gathered more than 500 participants, of whom about 400 attended the site in person. Among the guests and speakers are representatives of the largest chemical and petrochemical companies, IT solution providers, software developers, as well as experts from professional associations and industry unions.
This year, special attention was paid to the implementation of digital platforms, corporate information systems, data management, and practices for integrating artificial intelligence into production processes. These areas are now becoming key factors in increasing the efficiency and competitiveness of the Russian chemical industry.

Among the participants of the forum was AiNeuroChem— a technological developer of intelligent solutions in the field of chemistry based on advanced artificial intelligence methods. Representatives of the company spoke at the session "Corporate Information Systems, Digital Platforms, Data Management", where they shared their experience in using AI to accelerate chemical research, optimize molecular structures, and develop new materials.

According to the organizers, the Digital Chemistry Forum has already become a landmark event for the professional community. He was supported by leading industry unions and associations of IT specialists, as well as relevant associations. For the participants, this is not only an opportunity to discuss trends and challenges of digitalization of the chemical industry, but also a chance to establish new business contacts, exchange innovation practices and work out joint solutions for the development of the industry.

The Forum confirmed that the digitalization of the chemical and petrochemical industries in Russia is gaining momentum, and interest in artificial intelligence technologies is becoming more significant. For AiNeuroChem, participation in this event was an important step in developing expert positioning and strengthening cooperation with key market players.
The organizers announced a list of participants — it includes 100 of the most promising projects from different regions and countries. The expert commission carefully studied all applications and selected those teams that are able to offer truly new and sought-after solutions to the market. Now the finalists will continue to work under the guidance of personal mentors and will be able to go through an accelerated path from an idea to a finished product.

Interest in the program has been record-breaking this year. More than 5,8 thousand people have registered to participate in the accelerator. The geography of applications covered over 140 cities of Russia, as well as 15 friendly countries. Among the foreign participants are representatives of Belarus, Saudi Arabia, Morocco and other countries interested in cooperation in the field of technology and innovation.

Among the projects that passed a rigorous competitive selection was AiNeuroChem, a developer of an intelligent system based on artificial intelligence to accelerate chemical research and development. Once among the top hundred, the team had the opportunity to present their developments to a wide audience of experts and investors, as well as refine the technology as part of the accelerator.

Joining the sixth stream of the Academy of Innovators opens up new opportunities for the project: access to the experience of leading mentors, support from industry experts, and tools to enter the Russian and international markets. For AiNeuroChem, participation in the program will be an important step towards business scaling and integration into global research chains.
On September 17, 2025, the annual Lubricants 2025 conference was held at the St. Regis Nikolskaya Hotel in Moscow, bringing together key market players, regulators, and industry experts.

The discussion focused on the challenges of import substitution, the development of the additives segment, the prospects for labeling motor oils and automotive fluids, as well as new product niches, including oils for electric cars and hybrid vehicles.

The AiNeuroChem project, specializing in the development of intelligent solutions for the chemical and petrochemical industries based on artificial intelligence, participated in the event as a speaker. Representatives of the company talked about how AI technologies can accelerate the development of new lubricant formulations, improve the accuracy of predicting their properties and shorten the time to market a product.

Participation in the conference allowed AiNeuroChem not only to present its achievements to the professional community, but also to establish new business contacts with leading manufacturers and research centers in the industry.
On June 17, 2025, in St. Petersburg, on the sidelines of the 28th St. Petersburg International Economic Forum and in the midst of the white nights, the main industry forum in the field of artificial intelligence, AI — The Future Today, was held.

The central event of the forum was the plenary session "The Future today. AI for Government and Business", where leading experts discussed the formation of the sixth technological order and the prospects for international cooperation. The forum program included 13 thematic streams, 40 hours of discussions, an exchange of business contacts and an exhibition of AI achievements.

For AiNeuroChem, participation in the forum was an important step towards integration into the national and international agenda for the development of AI and confirmation of the relevance of the company's technologies for sustainable economic growth.
On May 22-23, 2025, the Moscow campus of the Skolkovo Institute of Science and Technology hosted the Frontiers of Progress Forum, a key event where science met with business to discuss the technological future.
We, the AiNeuroChem team, took part in the event, visited the sections on artificial intelligence, new materials, biotechnologies and photonics. The Forum has become a platform for exploring breakthrough research, finding partnerships, and sharing experiences.

It was especially valuable to see how the topics of reinforcement learning, automation, sustainable materials, and biomedicine are developing — areas in which we are already working and intend to further strengthen our presence.
Participation in the "Frontiers of Progress" confirmed that our approach to R&D and the integration of AI technologies meets the challenges and trends that experts and the industry are setting for themselves. This is important not only for inspiration, but also for building cooperation with scientists, universities and companies that share our goals.

Reach out to unlock faster, more predictable R&D at a lower cost with AiNeuroChem.
Moscow, Skolkovo Innovation Center, Nobel St. 7
info@AiNeuroChem.com