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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.

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)