Applied Informatics

09.04.03 Chemoinformatics and molecular modeling

The program will prepare masters for work in high-tech areas of modern pharmacology and computer development of medicines, collection, analysis and storage of data on chemical compounds, for the classification and design of new molecular structures with specified properties. The program is deployed by the forces and on the basis of the department of ITHS at the Faculty of ICT, where in 2011 the laboratory of bioinformatics and MNL of structural bioinformatics successfully works. At the department of ITHS there is a staff, which will provide training for the vast majority of the disciplines of the program. Trainees will receive knowledge on bioinformatics with an emphasis on structural biology, molecular modeling and design.

Within the framework of the new educational program, the Department of Intellectual Technologies in the Humanities of the University of ITMO will train specialists to work in high-tech areas related to computational pharmacology, computer-aided drug development, the design of molecular structures with specified properties, and processing, storage and visualization of large data sets of intermediate information for these purposes. With the development of science and technology, the speed of data accumulation is growing rapidly in chemistry and biology. To cope with the amount of information, it is necessary to apply knowledge of mathematical methods, complex algorithms, and information technology. It is necessary to solve issues of storage, ordering, classification of data. A separate topic is the development of new drugs. If sixty-seventy years ago chemists did this on the basis of their own experience, today we can and should automate this at least part of this process. The combination of competencies in the field of natural sciences and information technologies will be useful for solving problems of a broad profile – the skills of graduates will also be in demand in other spheres, for example, personalized medicine or materials science. The specialty is not limited to medical chemistry and pharmacology. Studies of undergraduates can be devoted to molecular modeling of new materials, or, for example, environmental monitoring in the gas and oil region. In Russia, there are few universities that train students in this area, and none with the same traditions of teaching and research in the field of IT, as in the University of ITMO.
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