ADMET property prediction: The state of the art and current challenges
Summary This article discusses Quantitative Structure – Activity relationships (QSAR) methods to predict absorption, distribution, metabolism, excretion and toxicity (ADMET)…
The preclinical species models covered in the Metabolism module are rat, mouse and dog.
These preclinical species were covered due to availability of data to build the models.
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Predicting regioselectivity and lability of P450 metabolism
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Transferable machine learning interatomic potential for bond dissociation energy prediction of drug-like molecules
Predicting metabolism at an early stage is important in maximising the chance of a drug’s success. However, accurate, useful models…
