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Re:AI in drug discovery is overhyped: examples from AstraZen... by digitalzombie on Saturday January 06, 2018 @03:19PM (#16087220)
Do you have a source for that? I'm super interested into reading more.

I had to do Tox21 I was using Bayesian Network for drug toxicity at the FDA we used the DILI database.

Re:AI in drug discovery is overhyped: examples from AstraZen... by _untom_ on Monday January 08, 2018 @02:15PM (#16099225)
This is the paper from the winners of the Tox21 Challenge: https://www.frontiersin.org/articles/10.3389/fenvs.2015.0008.... (fun fact: one of the authors is the inventor of the LSTM)