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. Author manuscript; available in PMC: 2017 Oct 20.
Published in final edited form as: Cell Chem Biol. 2016 Sep 15;23(10):1294–1301. doi: 10.1016/j.chembiol.2016.07.023

Figure 1.

Figure 1

Method Schematic. Our approach integrates chemical properties, drug-likeness measures and target-based properties of a molecule into a random forest model to predict whether the drug is likely to be a member to fail clinical trials for toxicity reasons.