معرفی
Bartosz Grzybowski serves as Distinguished Affiliate Professor at the Institute of Organic Chemistry, Polish Academy of Sciences (PAS), leading the Laboratory of Computer-Assisted Synthesis. His work bridges artificial intelligence and experimental organic chemistry to transform synthesis from trial-and-error into algorithmic science.
His research focuses on AI-driven synthesis planning, reaction network analysis, and computational prediction of chemical properties. Key contributions include pioneering algorithms for multistep organic synthesis of complex targets, discovery of novel organic reactions through AI, and design of temporally/spatially synchronized reaction networks. His group develops methods for sustainable chemistry, drug analog design, and enzymatic process optimization.
Analysis of his 2023-2025 publications reveals dominant trends in retrosynthetic AI (87% of articles), sustainable chemistry applications (63%), and integration of mechanistic understanding with machine learning. Work frequently appears in Nature, Science, and JACS, emphasizing experimental validation of computational predictions.
Prof. Grzybowski currently advises three PhD students and collaborates with a multidisciplinary team:
- Core team: Assoc. Prof. Michał Michalak (Adjunct), Dr. Anna Żądło-Dobrowolska, Dr. Aleksei Koshevarnikov
- Active grant: NCN SONATA 2020/39/D/ST4/01890 on hazardous chemical degradation (PI: Żądło-Dobrowolska)
The Laboratory of Computer-Assisted Synthesis operates as an integrated computational-experimental unit at IBS-IOC PAS. Current projects include blockchain-orchestrated reaction networks, AI-guided catalyst selection, and metabolic-cycle emulation. The group maintains strong industry/academic partnerships for validating algorithms in drug discovery and green chemistry applications.
