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Published in 2020 at "Journal of Cheminformatics"
DOI: 10.1186/s13321-020-00427-6
Abstract: We report on a new cheminformatics enumeration technology—SIME, synthetic insight-based macrolide enumerator—a new and improved software technology. SIME can enumerate fully assembled macrolides with synthetic feasibility by utilizing the constitutional and structural knowledge extracted from…
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Keywords:
based macrolide;
insight based;
macrolide enumerator;
sime synthetic ... See more keywords