DeepPurpose: a Deep Learning Based Drug Repurposing Toolkit

04/19/2020

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by   Kexin Huang, et al.

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We present DeepPurpose, a deep learning toolkit for simple and efficient drug repurposing. With a few lines of code, DeepPurpose generates drug candidates based on aggregating five pretrained state-of-the-art models while offering flexibility for users to train their own models with 15 drug/target encodings and 50+ novel architectures. We demonstrated DeepPurpose using case studies, including repurposing for COVID-19 where promising candidates under trials are ranked high in our results.