AI in drug discovery is overhyped: examples from AstraZeneca, Harvard, Stanford

Re:AI in drug discovery is overhyped: examples from AstraZen... by mostafab on Friday January 05, 2018 @07:15PM (#16082926)

I am not sure to fully understand your remark, but if you have a benchmark graph convolutions vs. char-CNN, it would be great to write your result and post it on Arxiv. Pande will be interested ;) The problem is not with the theoretical motivation, but with the empirical confirmation.

I also agree that there are many ways to work through the perfect discriminator problem for ORGAN. But it remains to be done (afaik).

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Re:AI in drug discovery is overhyped: examples from AstraZen... by frisco on Friday January 05, 2018 @10:39PM (#16083705)

I misread char-CNN as char-RNN in the linked article. I don’t know of results that compare graph convolutions to char-CNN. If a comparison were to be made, what metrics should it focus on?

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Re:AI in drug discovery is overhyped: examples from AstraZen... by mostafab on Saturday January 06, 2018 @02:11AM (#16084250)

See MoleculeNet ;)

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