Artificial Intelligence in Drug Development: From Molecular Design to Clinical Pharmacometrics

The aim was to demonstrate the potential of using artificial intelligence (AI) in pharmacology and the development of new drugs. This study reviews the key technological drivers shaping the market for generative design and AI applications in medicine, the dynamics of the global AI drug discovery market, the activities of leading players and startups, and the regulatory and legal aspects governing the industry. Particular focus is placed on the Russian market, including its maturity, growth barriers, and AI adoption case studies from 2022 to 2025.

1. Отраслевой аналитический отчет «Исследование использования искусственного интеллекта (ИИ) в фармакологии и Drug Discovery». Инфраструктурный центр НТИ «Хелснет», Фонд «Технопарк Академгородка», Новосибирск, 2026. URL: https://healthnet.academpark.com/wp-content/uploads/2026/07/otchet_ii_dragdizajn_itog_ispr_dop_24_07_2026.pdf

2. Hasselgren C., Oprea T.I. Artificial intelligence for drug discovery: are we there yet? Annu. Rev. Pharmacol. Toxicol. 2024;64(1):527–550. DOI: 10.1146/annurev-pharmtox-040323-040828.

3. Delile J., Mukherjee S., Mueller J., Khalil I., Zhukov L., Meier C. Foundation models in drug discovery: Phenomenal growth today, transformative potential tomorrow? Drug Discov. Today. 2025;30(12):104518. DOI: 10.1016/j.drudis.2025.104518.

4. Shanker V.R., Bruun T.U.J., Hie B.L., Kim P.S. Unsupervised evolution of protein and antibody complexes with a structure-informed language model. Science. 2024;385(6704):46– 53. DOI: 10.1126/science.adk8946.

5. Wang X., Wang C., Ji B., Wang J., Zheng M., Song L. et al. Multimodal pre-training models of molecular representation for drug discovery. Nati. Sci. Rev. 2026;13(1):nwaf495. DOI: 10.1093/nsr/nwaf495.

6. Bhushan A., Misra P. Unlocking the potential: multimodal AI in biotechnology and digital medicine – economic impact and ethical challenges. NPJ Digit. Med. 2025;8(1):619. DOI: 10.1038/s41746-025-01992-6.

7. Abramson J. Adler J., Dunger J., Evans R., Green T., Pritzel A., Ronneberger O. et al. Accurate structure prediction of biomolecular interactions with AlphaFold 3. Nature. 2024;630(8016):493–500. DOI: 10.1038/s41586-024-07487-w.

8. AI In Drug Discovery Market Size, Share, & Trends Analysis Report By Application, Therapeutic Area, Drug Type, Technology, End-User, Geography- Industry Analysis, Growth, Revenue, Opportunities, Latest AI Trends. URL: https://www.arizton.com/market-reports/ai-in-drug-discovery-market

9. Artificial Intelligence in Drug Discovery Market Size & Share 2026-2035. URL: https://www.gminsights.com/industry-analysis/ai-in-drug-discovery-market

10. AI in Clinical Trials Market: Growth, Size, Share, and Trends. https://www.marketsandmarkets.com. AI in Clinical Trials Market. URL: https://www.marketsandmarkets.com/Market-Reports/ai-in-clinical-trials-market-42687548.html

11. ПАСПОРТ Стратегии цифровой трансформации отрасли «Здравоохранение» до 2024 года и на плановый период до 2030 года. URL: http://government.ru/docs/all/153077/

12. Владимир Воскобоев: искусственный интеллект может сделать медицину более человечной. Медвестник. 26.12.2025. URL: https://medvestnik.ru/content/articles/vladimir-voskoboev-iskusstvennyi-intellekt-mojet-sdelatmedicinu-bolee-chelovechnoi.html?utm_source=chatgpt.com