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Published in 2018 at "Journal of Cheminformatics"
DOI: 10.1186/s13321-018-0269-8
Abstract: Both the automated generation of reaction networks and the automated prediction of synthetic trees require, in one way or another, the definition of possible transformations a molecule can undergo. One way of doing this is…
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Keywords:
reaction templates;
analysis;
reaction network;
chemistry ... See more keywords