SIME: synthetic insight-based macrolide enumerator to generate the V1B library of 1 billion macrolides
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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… read more here.
Keywords: based macrolide; insight based; macrolide enumerator; sime synthetic ... See more keywords