DeepPurpose: a Deep Learning Based Drug Repurposing Toolkit

DeepPurpose: a Deep Learning Based Drug Repurposing Toolkit. Huang, K., Fu, T., Xiao, C., Glass, L., & Sun, J. arXiv:2004.08919 [cs, q-bio, stat], April, 2020. arXiv: 2004.08919

Paper abstract bibtex

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.

@article{huang_deeppurpose_2020,
	title = {{DeepPurpose}: a {Deep} {Learning} {Based} {Drug} {Repurposing} {Toolkit}},
	shorttitle = {{DeepPurpose}},
	url = {http://arxiv.org/abs/2004.08919},
	abstract = {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.},
	urldate = {2020-06-30},
	journal = {arXiv:2004.08919 [cs, q-bio, stat]},
	author = {Huang, Kexin and Fu, Tianfan and Xiao, Cao and Glass, Lucas and Sun, Jimeng},
	month = apr,
	year = {2020},
	note = {arXiv: 2004.08919},
	keywords = {Computer Science - Machine Learning, Quantitative Biology - Quantitative Methods, Statistics - Machine Learning},
}

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