Wybrane publikacje

E. P. Gajewska, S. Szymkuć, P. Dittwald, M. Startek, O. Popik, J. Mlynarski, B. A.Grzybowski, „Algorithmic Discovery of Tactical Combinations for Advanced Organic Syntheses”, Chem, 2019, https://doi.org/10.1016/j.chempr.2019.11.016.

T. Badowski, E. P. Gajewska, K. Molga, B. A. Grzybowski, „Synergy Between Expert and Machine‐Learning Approaches Allows for Improved Retrosynthetic Planning”, Angew. Chem. Int. Ed., 2019, 58, 1–7.

M. Giedyk, R. Narobe, S. Weiß, W. Kunz, B. König, „Photocatalytic activation of alkyl chlorides by assembly-promoted single electron transfer in microheterogeneous solutions”, Nat Catal (2019), doi:10.1038/s41929-019-0369-5

K. Molga, P. Dittwald, B. A. Grzybowski, „Computational design of syntheses leading to compound libraries or isotopically labelled targets”, Chem. Sci., 2019, 10, 9219-9232

Y. M. Poronik, K. V. Vygranenko, D. Gryko, D. T. Gryko, „Rhodols – synthesis, chemical and optical properties and applications as fluorescent probes”, Chem. Soc. Rev., 2019, 48, 5242-5265.

M. Grzybowski, B. Sadowski, H. Butenschön, D. T. Gryko, „Synthetic Applications of Oxidative Aromatic Coupling – from Biphenols to Nanographenes”, Angew. Chem. Int. Ed. 10.1002/anie.201904934

R. Roszak, W. Beker, K. Molga, B. A. Grzybowski, „Rapid and Accurate Prediction of pKa Values of C–H Acids Using Graph Convolutional Neural Networks”, J. Am. Chem. Soc. 2019, 141, 17142-17149.

K. Molga, P. Dittwald, B. A. Grzybowski, „Navigating around patented routes by preserving specific motifs along computer-planned retrosynthetic pathways”, Chem, 2019, 5, 460–473.

T. Badowski, K. Molga, B.A. Grzybowski, „Selection of cost-effective yet chemically diverse pathways from the networks of computer-generated retrosynthetic plans”, Chem. Sci., 2019, 10, 4640-4651.

W. Jaworski, S. Szymkuć, B. Mikulak-Klucznik, K. Piecuch, T. Klucznik, M. Kaźmierowski, J. Rydzewski, A. Gambin, B. A. Grzybowski, „Automatic mapping of atoms across both simple and complex chemical reactions”, Nature Communications, 2019, 10, 1434.

M.A. Dudek, E. Machalska, T. Oleszkiewicz, E. Grzebelus, R. Baranski, P. Szcześniak, J. Mlynarski, G. Zajac, A. Kaczor, M. Baranska, „Chiral Amplification in Nature: Cell‐extracted Chiral Carotenoid Microcrystals Studied Via RROA of Model Systems”, Angew. Chem. Int. Ed., 2019, 58, 8383-8388.

H. Jędrzejewska, A. Szumna, „Peptide-based capsules with chirality-controlled functionalized interiors – rational design and amplification from dynamic combinatorial libraries”, Chem. Sci., 2019, 10, 4412-4421.

W. Beker, E. P. Gajewska, T. Badowski, B. A. Grzybowski, “Prediction of Major Regio‐, Site‐, and Diastereoisomers in Diels–Alder Reactions by Using Machine‐Learning: The Importance of Physically Meaningful Descriptors”, Angew. Chem. Int. Ed., 2019, 58, 4515–4519.

R. Roszak, M. D. Bajczyk, E. P. Gajewska, R. Hołyst, P. B. A. Grzybowski, “Propagation of Oscillating Chemical Signals through Reaction Networks”, Angew. Chem. Int. Ed., 2019, 58, 4520–4525.

K. Molga, P. Dittwald, B. A.Grzybowski, “Navigating around Patented Routes by Preserving Specific Motifs along Computer-Planned Retrosynthetic Pathways”, Chem, 2019, 5, 460-470.

A. Purc, E. M. Espinoza, R. Nazir, J. J. Romero, K. Skonieczny, A. Jeżewski, J. M. Larsen, D. T. Gryko, V. I. Vullev, “Gating That Suppresses Charge Recombination-The Role of Mono-N-Arylated Diketopyrrolopyrrole”, J. Am. Chem. Soc., 2016, 138, 12826-12832.

K. Rybicka-Jasińska, W. Shan, K. Zawada, K.M. Kadish, D. Gryko, “Porphyrins as Photoredox Catalysts: Experimental and Theoretical Studies”, J. Am. Chem. Soc. 2016, 138, 15451-15458.

B. Dereka, A. Rosspeintner, M. Krzeszewski, D.T. Gryko, E. Vauthey “Symmetry-Breaking Charge Transfer and Hydrogen Bonding: Toward Asymmetrical Photochemistry”, Angew. Chem. Int. Ed., 2016, 55, 15624–15628.

R. Orłowski, D. Gryko, D.T. Gryko, “Synthesis of Corroles and Their Heteroanalogs”, Chem. Rev., 2017, 117, 3102-3137.

H. Jędrzejewska, A. Szumna, “Making a Right or Left Choice: Chiral Self-Sorting as a Tool for the Formation of Discrete Complex Structures”, Chem. Rev., 2017, 117, 4863-489.

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