Sintelli: Software complex of chemoinformatics for solving problems of organic and medical chemistry

The main articles are:

• SaaS - History. Philosophy. Development drivers
• Artificial Intelligence in Medicine

2024: Finalization of the chemoinformatics software package for solving problems of organic and medical chemistry

The company Sintelli"" completed the refinement of the Russian chemo software complex information scientists for solving problems of organic medical and chemistry. A specialized SaaS platform based on AI will help users search, process and analyze 20 times faster. This was information RFRIT announced on February 21, 2024.

The solution can be used in the pharmaceutical, cosmetic and chemical industries, in the field of intellectual property protection, patent search, regulatory activities.

The database contains data on more than 155 million molecules with built-in modules for predicting physicochemical, biological, environmental properties, toxicity of substances, etc. The system will allow searching not only by structures, but also by literary sources, and by chemical reactions.

The project was implemented with grant support from the Russian Information Technology Development Fund within the framework of the Digital Economy of Russia national project. The total cost of the project amounted to 60.35 million rubles, the amount of the grant - 47.68 million rubles.

Thanks to timely support from states , we essentially made a special product - an original domestic artificial intelligence platform in organic chemistry. The use of technologies machine learning allowed us to introduce functionality into the platform that our foreign competitors do not have. Including - a module for quick assessment of a large number of parameters associated with the toxicity of compounds. As a result, we country received a powerful decision support tool in chemistry and related industries (pharmaceuticals, ecology, etc.). I hope that it will be useful in a number of areas, and, industries - sciences said the co-founder of the platform, corresponding member of the Russian Academy of Sciences Maxim Fedorov.

As of February 2024, more than 30 organizations cooperate with the software developer, including Rospatent (FIPS), Artgen Biotech, Kazan Federal University, as well as more than 1000 users from around the world.

When examining applications for intellectual property objects, Rospatent experts search the world databases of scientific and scientific and technical information in all main areas of science and technology. In connection with the departure of foreign companies in 2022, with which we collaborated in terms of gaining access to specialized databases in the field of chemistry, we are faced with the task of providing access to such databases for the examination of patent applications in the field of chemistry, pharmaceuticals and biotechnology. Since 2023, we have been actively cooperating with Sintelli and plan to launch a joint domestic product in 2024 that will fully satisfy our users and provide high-quality searches of organic and medical chemistry databases. Its main advantage will be the possibility of conducting a search for chemical structures, which is so necessary for domestic inventors and experts, - said Anna Polyakova, deputy director of the Federal Institute of Industrial Property.

The Thothex development team at ITMO University noted that with the help of Sintelli, it is possible to plan the synthesis of a substance and calculate its cost, as well as predict the properties of the future product and assess its toxicity. The platform has a very clear and convenient interface. A large amount of different information is collected for each compound - from physicochemical parameters to bioactivity.