ChemRxiv
These are preliminary reports that have not been peer-reviewed. They should not be regarded as conclusive, guide clinical practice/health-related behavior, or be reported in news media as established information. For more information, please see our FAQs.
main.pdf (6.41 MB)
0/0

Compound Collections at KU 1947-2017: Cheminformatic Analysis and Computational Protein Target Prediction

preprint
submitted on 15.04.2020 and posted on 22.04.2020 by Zachary Pearson, Manvendra Singh, Zarko Boskovic

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.

History

Email Address of Submitting Author

zarko@ku.edu

Institution

University of Kansas

Country

United States

ORCID For Submitting Author

0000-0001-9376-527X

Declaration of Conflict of Interest

No conflicts of interest.

Exports