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Had a great time at the NSF National Symposium on Drug Repurposing for Future Pandemics #futuretx20 (thank you @marinkazitnik and @jure for organizing)! Key takeaways, summaries of favorite talks, and relevant papers organized in thread below.
1/n Excited about the AI Antibiotics Project from @BarzilayRegina and Dr. Collins from MIT! Hopefully, halicin ( https://www.sciencedirect.com/science/article/abs/pii/S0092867420301021) moves forward as the official first repurposed antibiotic to be discovered using deep learning!
2/n Had my mind blown as I learned about the future of viral diagnostics by Dr. Collins ( https://www.sciencedirect.com/science/article/abs/pii/S0092867420301021) and the COVID-19 Cell-Free diagnostic facemask.
3/n Great talk from @mmbronstein on geometric deep learning and 3D convolutions to accelerate PPI prediction and in-silico docking through MaSIF-search! ( https://www.nature.com/articles/s41592-019-0666-6)
4/n Thanks @AndreasBenderUK for the birds-eye view of drug discovery! Key takeaways: method --> representation --> data --> hypothesis/question. Start with a hypothesis/question, not at the data level. Also, model validation must be equivalent to validating the entire workflow.
5/n Dr. Bengio gave a great talk on @Mila_Quebec's initiative intersecting active learning with GNNs and the use of multi-omics data to propose synergistic drug pairs. Loved the discussion on ML's role in discovering causal biological graphs and finding the right abstractions.
