Hepatic metabolic stability is key to ensure the drug attains the desired concentration in the body. The Rat Liver Microsomal (RLM) stability is a good approximation of a compound’s stability in the human body, and NCATS has collected a proprietary dataset of 20216 compounds with its associated RLM (in vitro half-life; unstable ≤30 min, stable >30 min) and used it to train a classifier based on an ensemble of several ML approaches (random forest, deep neural networks, graph convolutional neural networks and recurrent neural networks)
eos5505ncats-rlmCompoundSingleClassificationProbabilityFloatSingleIf you use this model, please cite the original authors of the model and the Ersilia Model Hub.
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