| 2020-01 | Algorithmic Discovery of Tactical Combinations for Advanced Organic Syntheses | Gajewska, Ewa P.; Szymkuc, Sara; Dittwald, Piotr; Startek, Michal; Popik, Oskar; Mlynarski, Jacek; Grzybowski, Bartosz A. | ARTICLE | 272 |
| 2018-03 | Chematica: A Story of Computer Code That Started to Think like a Chemist | Grzybowski, Bartosz A.; Szymkuć, Sara; Gajewska, Ewa P.; Molga, Karol; Dittwald, Piotr; Wołos, Agnieszka; Klucznik, Tomasz | ARTICLE | 529 |
| 2020-12 | Computational planning of the synthesis of complex natural products | Mikulak-Klucznik, Barbara; Golebiowska, Patrycja; Bayly, Alison A.; Popik, Oskar; Klucznik, Tomasz; Szymkuc, Sara; Gajewska, Ewa P.; Dittwald, Piotr; Staszewska-Krajewska, Olga; Beker, Wiktor; Badowski, Tomasz; Scheidt, Karl A.; Molga, Karol; Mlynarski, Jacek; Mrksich, Milan; Grzybowski, Bartosz A. | ARTICLE | 225 |
| 2016-05 | Computer-Assisted Synthetic Planning: The End of the Beginning | Szymkuc, Sara; Gajewska, Ewa P.; Klucznik, Tomasz; Molga, Karol; Dittwald, Piotr; Startek, Michal; Bajczyk, Michal; Grzybowski, Bartosz A. | ARTICLE | 778 |
| 2020-07 | Computer-generated "synthetic contingency" plans at times of logistics and supply problems: scenarios for hydroxychloroquine and remdesivir | Szymkuc, Sara; Gajewska, Ewa P.; Molga, Karol; Wolos, Agnieszka; Roszak, Rafal; Beker, Wiktor; Moskal, Martyna; Dittwald, Piotr; Grzybowski, Bartosz A. | ARTICLE | 216 |
| 2018-03 | Efficient Syntheses of Diverse, Medicinally Relevant Targets Planned by Computer and Executed in the Laboratory | Klucznik, Tomasz; Mikulak-Klucznik, Barbara; McCormack, Michael P.; Lima, Heather; Szymkuć, Sara; Bhowmick, Manishabrata; Molga, Karol; Zhou, Yubai; Rickershauser, Lindsey; Gajewska, Ewa P.; Toutchkine, Alexei; Dittwald, Piotr; Startek, Michal P.; Kirkovits, Gregory J.; Roszak, Rafai; Adamski, Alexei; Sieredzińska, Bianka; Mrksich, Milan; Trice, Sarah L.J.; Grzybowski, Bartosz A. | ARTICLE | 874 |
| 2019-03 | Prediction of Major Regio‐, Site‐, and Diastereoisomers in Diels–Alder Reactions by Using Machine‐Learning: The Importance of Physically Meaningful Descriptors | Beker, Wiktor; Gajewska, Ewa P.; Badowski, Tomasz; Grzybowski, Bartosz A. | ARTICLE | 516 |
| 2019-03 | Propagation of Oscillating Chemical Signals through Reaction Networks | Roszak, Rafal; Bajczyk, Michal D.; Gajewska, Ewa P.; Hołyst, Robert; Grzybowski, Bartosz A. | ARTICLE | 563 |
| 2020-01 | Synergy Between Expert and Machine-Learning Approaches Allows for Improved Retrosynthetic Planning | Badowski, Tomasz; Gajewska, Ewa P.; Molga, Karol; Grzybowski, Bartosz A. | ARTICLE | 771 |
| 2019-09 | The logic of translating chemical knowledge into machine-processable forms: A modern playground for physical-organic chemistry | Molga, Karol; Gajewska, Ewa P.; Szymkuć, Sara; GrzybowskiBartosz Andrzej | ARTICLE | 329 |
