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We report the comparison of two small-molecule collections synthesized at KU at two different eras. We used a machine learning tool to classify the compounds in these collections by their… Click to show full abstract
We report the comparison of two small-molecule collections synthesized at KU at two different eras. We used a machine learning tool to classify the compounds in these collections by their predicted protein targets. The analyses shine light on the evolution of medicinal chemistry research at the University of Kansas, and reveal several new associations between compounds and protein targets.
Keywords:
1947 2017;
compound collections;
collections 1947;
chemistry;
cheminformatic analysis;
2017 cheminformatic
Journal Title: Medicinal Chemistry Research
Year Published: 2020
Link to full text (if available)
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Journal Title: Medicinal Chemistry Research
Year Published: 2020
Link to full text (if available)
Share on Social Media: Sign Up to like & get
recommendations!