This article discusses Quantitative Structure – Activity relationships (QSAR) methods to predict absorption, distribution, metabolism, excretion and toxicity (ADMET) properties.

It covers statistical modelling techniques, molecular descriptors and data sets used for model building, alongside the application of predictive ADMET models in drug discovery, and challenges faced.

Citation details

J. M. Gola, O. Obrezanova, E. Champness, M. D. Segall, QSAR Comb. Sci., 2006, 25(12), pp. 1172 – 1180
DOI: 10.1002/qsar.200610093

ADMET properties in StarDrop

Property prediction is one of the key uses of our StarDrop suite of integrated software. Discover modules such as ADME QSARAuto-Modeller and Metabolism module to find out more about how StarDrop supports ADMET property prediction.

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