| 2015-09 | A Priori Estimation of Organic Reaction Yields | Emami, Fateme S.; Vahid, Amir; Wylie, Elizabeth K.; Szymkuc, Sara; Dittwald, Piotr; Molga, Karol; Grzybowski, Bartosz A. | ARTICLE | 1005 |
| 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 | 530 |
| 2021-03 | Chemist Ex Machina: Advanced Synthesis Planning by Computers | Molga, Karol; Szymkuc, Sara; Grzybowski, Bartosz A. | ARTICLE | 55 |
| 2019-10 | Computational design of syntheses leading to compound libraries or isotopically labelled targets | Molga, Karol; Dittwald, Piotr; Grzybowski, Bartosz A. | ARTICLE | 419 |
| 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 | 227 |
| 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 | 779 |
| 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 | 217 |
| 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 | 876 |
| 2019-02 | Navigating around Patented Routes by Preserving Specific Motifs along Computer-Planned Retrosynthetic Pathways | Molga, Karol; Dittwald, Piotr; Grzybowski, Bartosz A. | ARTICLE | 366 |
| 2019-10 | Rapid and Accurate Prediction of pK(a) Values of C-H Acids Using Graph Convolutional Neural Networks | Roszak, Rafal; Beker, Wiktor; Molga, Karol; Grzybowski, Bartosz A. | ARTICLE | 272 |
| 2019-05 | Selection of cost-effective yet chemically diverse pathways from the networks of computer-generated retrosynthetic plans | Badowski, Tomasz; Molga, Karol; Grzybowski, Bartosz A. | ARTICLE | 318 |
| 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 | 773 |
| 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 | 330 |
