| Efficient syntheses of diverse, medicinally relevant targets planned by computer and executed in the laboratory T Klucznik, B Mikulak-Klucznik, MP McCormack, H Lima, S Szymkuć, ... Chem 4 (3), 522-532, 2018 | 323 | 2018 |
| Synthetic connectivity, emergence, and self-regeneration in the network of prebiotic chemistry A Wołos, R Roszak, A Żądło-Dobrowolska, W Beker, B Mikulak-Klucznik, ... Science 369 (6511), eaaw1955, 2020 | 133 | 2020 |
| Machine learning may sometimes simply capture literature popularity trends: a case study of heterocyclic Suzuki–Miyaura coupling W Beker, R Roszak, A Wołos, NH Angello, V Rathore, MD Burke, ... Journal of the American Chemical Society 144 (11), 4819-4827, 2022 | 131 | 2022 |
| Closed-loop optimization of general reaction conditions for heteroaryl Suzuki-Miyaura coupling NH Angello, V Rathore, W Beker, A Wołos, ER Jira, R Roszak, TC Wu, ... Science 378 (6618), 399-405, 2022 | 127 | 2022 |
| Rapid and Accurate Prediction of pKa Values of C–H Acids Using Graph Convolutional Neural Networks R Roszak, W Beker, K Molga, BA Grzybowski Journal of the American Chemical Society 141 (43), 17142-17149, 2019 | 89 | 2019 |
| Computer-designed repurposing of chemical wastes into drugs A Wołos, D Koszelewski, R Roszak, S Szymkuć, M Moskal, R Ostaszewski, ... Nature 604 (7907), 668-676, 2022 | 53 | 2022 |
| Delocalized, asynchronous, closed-loop discovery of organic laser emitters F Strieth-Kalthoff, H Hao, V Rathore, J Derasp, T Gaudin, NH Angello, ... Science 384 (6697), eadk9227, 2024 | 48 | 2024 |
| Hydrogen storage by adsorption in porous materials: Is it possible? R Roszak, L Firlej, S Roszak, P Pfeifer, B Kuchta Colloids and Surfaces A: Physicochemical and Engineering Aspects 496, 69-76, 2016 | 44 | 2016 |
| Structure of the hexagonal NaYF 4 phase from first-principles molecular dynamics B Szefczyk, R Roszak, S Roszak RSC advances 4 (43), 22526-22535, 2014 | 41 | 2014 |
| Effect of chiral ionic liquids on palladium-catalyzed Heck arylation of 2, 3-dihydrofuran R Roszak, AM Trzeciak, J Pernak, N Borucka Applied Catalysis A: General 409, 148-155, 2011 | 28 | 2011 |
| A computer algorithm to discover iterative sequences of organic reactions K Molga, S Szymkuć, P Gołębiowska, O Popik, P Dittwald, M Moskal, ... Nature Synthesis 1 (1), 49-58, 2022 | 20 | 2022 |
| Suggestions for second-pass anti-COVID-19 drugs based on the Artificial Intelligence measures of molecular similarity, shape and pharmacophore distribution. M Moskal, W Beker, R Roszak, EP Gajewska, A Wołos, K Molga, ... | 20 | 2020 |
| Computer-generated “synthetic contingency” plans at times of logistics and supply problems: scenarios for hydroxychloroquine and remdesivir S Szymkuć, EP Gajewska, K Molga, A Wołos, R Roszak, W Beker, ... Chemical Science 11 (26), 6736-6744, 2020 | 19 | 2020 |
| Propagation of oscillating chemical signals through reaction networks R Roszak, MD Bajczyk, EP Gajewska, R Hołyst, BA Grzybowski Angewandte Chemie International Edition 58 (14), 4520-4525, 2019 | 10 | 2019 |
| Unique Bonding Nature of Carbon-Substituted Be2 Dimer inside the Carbon (sp2) Network R Roszak, S Roszak, D Majumdar, L Firlej, B Kuchta, J Leszczynski The Journal of Physical Chemistry A 118 (30), 5727-5733, 2014 | 7 | 2014 |
| Efficient Syntheses of Diverse, Medicinally Relevant Targets Planned by Computer and Executed in the Laboratory. Chem 2018, 4 (3), 522–532 T Klucznik, B Mikulak-Klucznik, MP McCormack, H Lima, S Szymkuć, ... | 7 | |
| Emergence of metabolic-like cycles in blockchain-orchestrated reaction networks R Roszak, A Wołos, M Benke, Ł Gleń, J Konka, P Jensen, P Burgchardt, ... Chem 10 (3), 952-970, 2024 | 6 | 2024 |
| Efficient syntheses of diverse, medicinally relevant targets planned by computer and executed in the laboratory. Chem 4: 522–532 T Klucznik, B Mikulak-Klucznik, MP McCormack, H Lima, S Szymkuc, ... | 5 | 2018 |
| Computational synthesis design for controlled degradation and revalorization A Żądło-Dobrowolska, K Molga, OO Kolodiazhna, S Szymkuć, M Moskal, ... Nature Synthesis, 1-12, 2024 | 4 | 2024 |
| Computer-assisted planning of hydroxychloroquine’s syntheses commencing from inexpensive substrates and bypassing patented routes. S Szymkuć, EP Gajewska, K Molga, A Wołos, R Roszak, W Beker, ... | 4 | 2020 |
Bartosz GrzybowskiUNIST, Distinguished Professor of Chemistry, Director of the IBS CARS CenterVerified email at unist.ac.kr