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Showing results 1 to 13 of 13

Issue DateTitleAuthor(s)TypeView
2015-09A Priori Estimation of Organic Reaction YieldsEmami, Fateme S.; Vahid, Amir; Wylie, Elizabeth K.; Szymkuc, Sara; Dittwald, Piotr; Molga, Karol; Grzybowski, Bartosz A.ARTICLE1029
2018-03Chematica: A Story of Computer Code That Started to Think like a ChemistGrzybowski, Bartosz A.; Szymkuć, Sara; Gajewska, Ewa P.; Molga, Karol; Dittwald, Piotr; Wołos, Agnieszka; Klucznik, TomaszARTICLE560
2021-03Chemist Ex Machina: Advanced Synthesis Planning by ComputersMolga, Karol; Szymkuc, Sara; Grzybowski, Bartosz A.ARTICLE75
2019-10Computational design of syntheses leading to compound libraries or isotopically labelled targetsMolga, Karol; Dittwald, Piotr; Grzybowski, Bartosz A.ARTICLE447
2020-12Computational planning of the synthesis of complex natural productsMikulak-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.ARTICLE246
2016-05Computer-Assisted Synthetic Planning: The End of the BeginningSzymkuc, Sara; Gajewska, Ewa P.; Klucznik, Tomasz; Molga, Karol; Dittwald, Piotr; Startek, Michal; Bajczyk, Michal; Grzybowski, Bartosz A.ARTICLE803
2020-07Computer-generated "synthetic contingency" plans at times of logistics and supply problems: scenarios for hydroxychloroquine and remdesivirSzymkuc, Sara; Gajewska, Ewa P.; Molga, Karol; Wolos, Agnieszka; Roszak, Rafal; Beker, Wiktor; Moskal, Martyna; Dittwald, Piotr; Grzybowski, Bartosz A.ARTICLE240
2018-03Efficient Syntheses of Diverse, Medicinally Relevant Targets Planned by Computer and Executed in the LaboratoryKlucznik, 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.ARTICLE898
2019-02Navigating around Patented Routes by Preserving Specific Motifs along Computer-Planned Retrosynthetic PathwaysMolga, Karol; Dittwald, Piotr; Grzybowski, Bartosz A.ARTICLE384
2019-10Rapid and Accurate Prediction of pK(a) Values of C-H Acids Using Graph Convolutional Neural NetworksRoszak, Rafal; Beker, Wiktor; Molga, Karol; Grzybowski, Bartosz A.ARTICLE288
2019-05Selection of cost-effective yet chemically diverse pathways from the networks of computer-generated retrosynthetic plansBadowski, Tomasz; Molga, Karol; Grzybowski, Bartosz A.ARTICLE341
2020-01Synergy Between Expert and Machine-Learning Approaches Allows for Improved Retrosynthetic PlanningBadowski, Tomasz; Gajewska, Ewa P.; Molga, Karol; Grzybowski, Bartosz A.ARTICLE798
2019-09The logic of translating chemical knowledge into machine-processable forms: A modern playground for physical-organic chemistryMolga, Karol; Gajewska, Ewa P.; Szymkuć, Sara; GrzybowskiBartosz AndrzejARTICLE347
Showing results 1 to 13 of 13