Hierarchical Reaction Logic Enables Computational Design of Complex Peptide Syntheses

The prevalent assumption in computer-assisted synthesis planning has been to rely on the wealth of reaction data and on the consideration of this vast knowledge base at every stage of route planning. Yet even if equipped with all requisite knowledge of individual reaction transforms and state-of-the...

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Bibliographic Details
Main Author:	Karol Molga (7521836) (author)
Other Authors:	Wiktor Beker (1289256) (author), Rafał Roszak (7521833) (author), Andrzej Czerwiński (17334866) (author), Bartosz A. Grzybowski (1270503) (author)
Published:	2025
Subjects:	Medicine Sociology Infectious Diseases Biological Sciences not elsewhere classified Information Systems not elsewhere classified realistic pathway pricing existing programs struggle describe incorporates protecting vast knowledge base individual reaction transforms clinically relevant targets complex peptide syntheses art search algorithms assisted synthesis planning synthesis planning requisite knowledge reaction data advanced targets route planning hierarchical planning yet even work considers within minutes strategies used solution modes routes designed prevalent assumption literature precedents human experts hierarchical logic group strategies every stage different stages complex peptides complete routes algorithm mimic
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Hierarchical Reaction Logic Enables Computational Design of Complex Peptide Syntheses

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