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• W2950644019 abstract "A series of computer methods is presented that elucidate relationships between the target molecule, precursors, and starting materials of a synthesis. Both retrosynthetic and synthetic searches are performed to find the most rewarding pathways for the synthesis of complex organic structures including their stereochemical features. A user interface has been developed that allows easy switching between the various search methods and the results can be presented graphically. A system for reaction prediction has been developed that can predict the course and products of organic reactions to various depth of chemical knowledge, from the generation of isomers, up to the calculation of absolute rate constants." @default.
• W2950644019 created "2019-06-27" @default.
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• W2950644019 date "1992-01-01" @default.
• W2950644019 modified "2023-10-17" @default.
• W2950644019 title "A collection of computer methods for synthesis design and reaction prediction" @default.
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• W2950644019 doi "https://doi.org/10.1002/recl.19921110605" @default.
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