| 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 | 746 |
| 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 | 194 |
| 2019-10 | Computational design of syntheses leading to compound libraries or isotopically labelled targets | Molga, Karol; Dittwald, Piotr; Grzybowski, Bartosz A. | ARTICLE | 154 |
| 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 | 569 |
| 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 | 587 |
| 2019-02 | Navigating around Patented Routes by Preserving Specific Motifs along Computer-Planned Retrosynthetic Pathways | Molga, Karol; Dittwald, Piotr; Grzybowski, Bartosz A. | ARTICLE | 172 |
| 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 | 42 |
| 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 | 113 |
| 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 | 410 |
| 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 | 106 |
