Rxn-INSIGHT: fast chemical reaction analysis using bond-electron matrices

The challenge of devising pathways for organic synthesis remains a central issue in the field of medicinal chemistry. Over the span of six decades, computer-aided synthesis planning has given rise to a plethora of potent tools for formulating synthetic routes. Nevertheless, a significant expert task...

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Bibliographic Details
Published in:	Journal of cheminformatics Vol. 16; no. 1; pp. 37 - 14
Main Authors:	Dobbelaere, Maarten R., Lengyel, István, Stevens, Christian V., Van Geem, Kevin M.
Format:	Journal Article
Language:	English
Published:	Cham Springer International Publishing 29.03.2024 BioMed Central Ltd Springer Nature B.V BMC
Subjects:	Algorithms Catalysts Chemical reactions Chemical synthesis Chemical tests and reagents Cheminformatics Chemistry Chemistry and Materials Science Chemists Classification Computational Biology/Bioinformatics Computer Applications in Chemistry Documentation and Information in Chemistry Fast chemical reactions Functional groups Naming Reaction analysis Reaction classification Reaction conditions Reagents Ring structures Solvents Theoretical and Computational Chemistry Chemical reactions Cheminformatics Reaction classification Reaction analysis Reaction conditions
ISSN:	1758-2946, 1758-2946
Online Access:	Get full text
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