Office of Undergraduate Research

Permanent URI for this communityhttp://hdl.handle.net/1903/20157

Emphasizing equitable and inclusive access to research opportunities, the University of Maryland's Office of Undergraduate Research (OUR) empowers undergraduates and faculty to engage and succeed in inquiry, creative activity, and scholarship. This collection includes materials shared by undergraduate researchers during OUR events. It also encompasses materials from Undergraduate Research Day 2020, Undergraduate Research Day 2021, and Undergraduate Research Day 2022, which were organized by the Maryland Center for Undergraduate Research.

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Author: search.filters.author.Boby, KevinSubject: search.filters.subject.CMNS

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    Interpretable Deep Learning for Toxicity Prediction
    (2020) Banerjee, Aranya; Boby, Kevin; Lam, Samuel; Li, Jeffrey; Polefrone, David; San, Robert; Schlunk, Erika; Wynn, Sean; Yancey, Colin; Feizi, Soheil
    Team TOXIC (“Understanding Computational Toxicology”) seeks to apply interpretability techniques to machine learning models which predict drug safety. Currently, such models have been developed with relative accuracy and are used in industry for drug development. However, because they are not sufficiently rooted in chemical knowledge, they are not widely used in regulatory processes. To contribute towards a solution, we evaluate existing explanation methods for toxicity predction models trained on open-source data sets. Additionally, we are working towards models involving the usage of more interpretable data representations. Ultimately, we hope to demonstrate a proof-of-concept for an interpretable model for predicting drug safety which can illustrate its reasoning.