Search Results for author: Thomas S. Brettin

Found 2 papers, 1 papers with code

Deep learning methods for drug response prediction in cancer: predominant and emerging trends

no code implementations18 Nov 2022 Alexander Partin, Thomas S. Brettin, Yitan Zhu, Oleksandr Narykov, Austin Clyde, Jamie Overbeek, Rick L. Stevens

A wave of recent papers demonstrates promising results in predicting cancer response to drug treatments while utilizing deep learning methods.

Drug Response Prediction

Spatial Graph Attention and Curiosity-driven Policy for Antiviral Drug Discovery

4 code implementations ICLR 2022 Yulun Wu, Mikaela Cashman, Nicholas Choma, Érica T. Prates, Verónica G. Melesse Vergara, Manesh Shah, Andrew Chen, Austin Clyde, Thomas S. Brettin, Wibe A. de Jong, Neeraj Kumar, Martha S. Head, Rick L. Stevens, Peter Nugent, Daniel A. Jacobson, James B. Brown

We developed Distilled Graph Attention Policy Network (DGAPN), a reinforcement learning model to generate novel graph-structured chemical representations that optimize user-defined objectives by efficiently navigating a physically constrained domain.

Drug Discovery Graph Attention

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