Abstract
Planning of complex chemical syntheses is illustrated by application of two different approaches (Corey’s and Ugi-Dugundji’s) in designing of new pharmaceuticals. The second approach (known worldwide as the D–U model) allows to generate synthetic pathways to required compounds, neglecting very expensive process of searching through enormously large databases on chemical reactions. The main features of both approaches are briefly discussed, and finally our own extension of the D–U model—based on the application of machine learning methods—is briefly discussed.
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Acknowledgment
Many thanks are expressed for generous support from Ministry of Education of Poland (grants 3 T11C 013 30 and 3 T11C 033 30). I am extremely grateful to my coworkers: Dr G Nowak, Dr G Fic and MSc M Mazur for creative and devoted cooperation over many years, and for excellent work done during implementation of some new machine learning ideas into the computer system CSB.
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Hippe, Z.S. (2014). A Comparison of Two Approaches Used for Intelligent Planning of Complex Chemical Syntheses. In: S. Hippe, Z., L. Kulikowski, J., Mroczek, T., Wtorek, J. (eds) Issues and Challenges in Artificial Intelligence. Studies in Computational Intelligence, vol 559. Springer, Cham. https://doi.org/10.1007/978-3-319-06883-1_7
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DOI: https://doi.org/10.1007/978-3-319-06883-1_7
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