Abstract
Novel approach to empirical retrosynthetic analysis of computer-assisted synthesis design is proposed using the KOSP (Knowledge base-Oriented system for Synthesis Planning) system. KOSP has four functions: (1) strategic site pattern perception, (2) precursor skeleton generation, (3) retrosynthetic scheme evaluation, and (4) retrosynthetic analysis termination. This system is based on knowledge bases in which reactions are abstracted by structural and/or stereo characteristics of reaction sites and their environments. This paper describes the framework of KOSP and results of its execution.
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Funatsu, K. (2005). A Novel Approach to Retrosynthetic Analysis Utilizing Knowledge Bases Derived from Reaction Databases. In: Khosla, R., Howlett, R.J., Jain, L.C. (eds) Knowledge-Based Intelligent Information and Engineering Systems. KES 2005. Lecture Notes in Computer Science(), vol 3681. Springer, Berlin, Heidelberg. https://doi.org/10.1007/11552413_25
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DOI: https://doi.org/10.1007/11552413_25
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-28894-7
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