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Pure Appl. Chem., 1988, Vol. 60, No. 11, pp. 1573-1586

http://dx.doi.org/10.1351/pac198860111573

Computer assistance in the design of syntheses and a new generation of computer programs for the solution of chemical problems by molecular logic

I. Ugi, Johannes Bauer, Regina Baumgartner, Eric Fontain, Dietmar Forstmeyer and Severin Lohberger

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  • Parenty Alexis D. C., Button William G., Ott Martin A.: An Expert System To Predict the Forced Degradation of Organic Molecules. Mol. Pharmaceutics 2013, 10, 2962. <http://dx.doi.org/10.1021/mp400083h>
  • Gothard Chris M., Soh Siowling, Gothard Nosheen A., Kowalczyk Bartlomiej, Wei Yanhu, Baytekin Bilge, Grzybowski Bartosz A.: Rewiring Chemistry: Algorithmic Discovery and Experimental Validation of One-Pot Reactions in the Network of Organic Chemistry. Angew. Chem. 2012, 124, 8046. <http://dx.doi.org/10.1002/ange.201202155>
  • Gothard Chris M., Soh Siowling, Gothard Nosheen A., Kowalczyk Bartlomiej, Wei Yanhu, Baytekin Bilge, Grzybowski Bartosz A.: Rewiring Chemistry: Algorithmic Discovery and Experimental Validation of One-Pot Reactions in the Network of Organic Chemistry. Angew. Chem. Int. Ed. 2012, 51, 7922. <http://dx.doi.org/10.1002/anie.201202155>
  • Wegner Hermann A.: Vernetzt geplant - Synthesedesign ohne Chemiker?. Nachr. Chem. 2012, 60, 1101. <http://dx.doi.org/10.1002/nadc.201290401>
  • Ott Martin A., Noordik Jan H.: Computer tools for reaction retrieval and synthesis planning in organic chemistry. A brief review of their history, methods, and programs. Recl Trav Chim Pays-Bas 2010, 111, 239. <http://dx.doi.org/10.1002/recl.19921110601>
  • Dengler Alf, Fontain Eric, Knauer Michael, Stein Natalie, Ugi Ivar: Competing concepts in CAOS. Recl Trav Chim Pays-Bas 2010, 111, 262. <http://dx.doi.org/10.1002/recl.19921110604>
  • Grzybowski Bartosz A., Bishop Kyle J. M., Kowalczyk Bartlomiej, Wilmer Christopher E.: The 'wired' universe of organic chemistry. Nature Chem 2009, 1, 31. <http://dx.doi.org/10.1038/nchem.136>
  • Zeigarnik Andrei V, Bruk Lev G, Temkin Oleg N, Likholobov Vladimir A, Maier Lyubob' I: Computer-aided studies of reaction mechanisms. RUSS CHEM REV 1996, 65, 117. <http://dx.doi.org/10.1070/RC1996v065n02ABEH000202>
  • Ugi Ivar, Bauer Johannes, Bley Klemens, Dengler Alf, Dietz Andreas, Fontain Eric, Gruber Bernhard, Herges Rainer, Knauer Michael, Reitsam Klaus: Die computerunterstützte Lösung chemischer Probleme eine neue Disziplin der Chemie. Angew Chem 1993, 105, 210. <http://dx.doi.org/10.1002/ange.19931050207>
  • Kvasnička Vladimír, Pospíchal Jiří, Baláž Vladimír: Reaction and chemical distances and reaction graphs. Theor Chim Acta 1991, 79, 65. <http://dx.doi.org/10.1007/BF01113330>
  • Ugi I., Bauer J., Bley K., Dengler A., Fontain E., Knauer M., Lohberger S.: Computer-assisted bilateral synthesis design: A status report. Journal of Molecular Structure: THEOCHEM 1991, 230, 73. <http://dx.doi.org/10.1016/0166-1280(91)85173-5>
  • Kvasni��ka V., Posp��chal J.: Chemical and reaction metrics for graph-theoretical model of organic chemistry. Journal of Molecular Structure: THEOCHEM 1991, 227, 17. <http://dx.doi.org/10.1016/0166-1280(91)85270-H>
  • Kvasnička Vladimír, Pospíchal Jiří: Constructive enumeration of molecular graphs with prescribed valence states. CHEM INTELL 1991, 11, 137. <http://dx.doi.org/10.1016/0169-7439(91)80061-T>
  • Seebach Dieter: Organische Synthese — wohin?. Angew Chem 1990, 102, 1363. <http://dx.doi.org/10.1002/ange.19901021118>
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  • Kvasnička V., Pospíchal J.: Graph-theoretical interpretation of Ugi's concept of the reaction network. J Math Chem 1990, 5, 309. <http://dx.doi.org/10.1007/BF01164854>
  • Ugi I., Fontain E., Bauer J.: Transparent formal methods for reducing the combinatorial abundance of conceivable solutions to a chemical problem. Analytica Chimica Acta 1990, 235, 155. <http://dx.doi.org/10.1016/S0003-2670(00)82070-X>