Global ETD Search
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Showing 1 to 3 of 3 for “"Informatics-driven"”.
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Machine-assisted synthesis and development in pharmaceutical industry
… libraries, we demonstrated the use molecular informatics-driven workflow on various chemical transformations, and identified a significant overlap with solvent selection tools developed by AstraZeneca and Syngenta. Next, considering all continuous and discrete variables in the reaction, a …
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Genomics as a tool for natural product structure elucidation
… from a largely serendipity-based effort to an informatics-driven one. For most of the 20th century, natural product discovery relied on genome-blind bioassay-guided isolation. This was initially exceptionally productive, yielding the golden age of antibiotics. The fact that a majority of all …