Further developments of the “computer-aided synthesis planning” software Chematica (bought by Merck and further developed as ‘Synthia’):

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  • T. Badowski, K. Molga, and B.A. Grzybowski, "Selection of cost-effective yet chemically diverse pathways from the networks of computer-generated retrosynthetic plans", Chemical Science, vol. 10, pp. 4640-4651, 2019. http://dx.doi.org/10.1039/C8SC05611K
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  • P.Y. Chong, J.B. Shotwell, J. Miller, D.J. Price, A. Maynard, C. Voitenleitner, A. Mathis, S. Williams, J.J. Pouliot, K. Creech, F. Wang, J. Fang, H. Zhang, V.W. Tai, E. Turner, K.M. Kahler, R. Crosby, and A.J. Peat, "Design of N-Benzoxaborole Benzofuran GSK8175—Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor", Journal of Medicinal Chemistry, vol. 62, pp. 3254-3267, 2019. http://dx.doi.org/10.1021/acs.jmedchem.8b01719
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  • B.K. Peters, K.X. Rodriguez, S.H. Reisberg, S.B. Beil, D.P. Hickey, Y. Kawamata, M. Collins, J. Starr, L. Chen, S. Udyavara, K. Klunder, T.J. Gorey, S.L. Anderson, M. Neurock, S.D. Minteer, and P.S. Baran, "Scalable and safe synthetic organic electroreduction inspired by Li-ion battery chemistry", Science, vol. 363, pp. 838-845, 2019. http://dx.doi.org/10.1126/science.aav5606
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  • R.T. Jacobs, C.S. Lunde, Y.R. Freund, V. Hernandez, X. Li, Y. Xia, D.S. Carter, P.W. Berry, J. Halladay, F. Rock, R. Stefanakis, E. Easom, J.J. Plattner, L. Ford, K.L. Johnston, D.A.N. Cook, R. Clare, A. Cassidy, L. Myhill, H. Tyrer, J. Gamble, A.F. Guimaraes, A. Steven, F. Lenz, A. Ehrens, S.J. Frohberger, M. Koschel, A. Hoerauf, M.P. Hübner, C.W. McNamara, M.A. Bakowski, J.D. Turner, M.J. Taylor, and S.A. Ward, "Boron-Pleuromutilins as Anti-Wolbachia Agents with Potential for Treatment of Onchocerciasis and Lymphatic Filariasis", Journal of Medicinal Chemistry, vol. 62, pp. 2521-2540, 2019. http://dx.doi.org/10.1021/acs.jmedchem.8b01854
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  • S.V. Zasukha, V.M. Timoshenko, A.A. Tolmachev, V.O. Pivnytska, O. Gavrylenko, S. Zhersh, Y. Shermolovich, and O.O. Grygorenko, "Sulfonimidamides and Imidosulfuric Diamides: Compounds from an Underexplored Part of Biologically Relevant Chemical Space", Chemistry – A European Journal, vol. 25, pp. 6928-6940, 2019. http://dx.doi.org/10.1002/chem.201900440
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  • J. Lauberteaux, C. Crévisy, O. Baslé, R.M. de Figueiredo, M. Mauduit, and J. Campagne, "Copper-Catalyzed Asymmetric Conjugate Additions of Bis(pinacolato)diboron and Dimethylzinc to Acyl-N-methylimidazole Michael Acceptors: A Highly Stereoselective Unified Strategy for 1,3,5,...n (OH, Me) Motif Synthesis", Organic Letters, vol. 21, pp. 1872-1876, 2019. http://dx.doi.org/10.1021/acs.orglett.9b00479