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Showing results 1 to 10 of 10

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.ARTICLE746
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, TomaszARTICLE194
2019-10Computational design of syntheses leading to compound libraries or isotopically labelled targetsMolga, Karol; Dittwald, Piotr; Grzybowski, Bartosz A.ARTICLE154
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.ARTICLE569
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.ARTICLE587
2019-02Navigating around Patented Routes by Preserving Specific Motifs along Computer-Planned Retrosynthetic PathwaysMolga, Karol; Dittwald, Piotr; Grzybowski, Bartosz A.ARTICLE172
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.ARTICLE42
2019-05Selection of cost-effective yet chemically diverse pathways from the networks of computer-generated retrosynthetic plansBadowski, Tomasz; Molga, Karol; Grzybowski, Bartosz A.ARTICLE113
2020-01Synergy Between Expert and Machine-Learning Approaches Allows for Improved Retrosynthetic PlanningBadowski, Tomasz; Gajewska, Ewa P.; Molga, Karol; Grzybowski, Bartosz A.ARTICLE410
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 AndrzejARTICLE106
Showing results 1 to 10 of 10

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