ADME Prediction
https://www.profacgen.com/adme-tox-prediction.htm The characterization of Absorption, Distribution, Metabolism, and Excretion (also known as ADME) and Toxicity are essential steps in drug development. ADME describes the disposition of a pharmaceutical compound within an organism, and has been applied in drug discovery to investigate the drug levels and kinetics of drug exposure to the tissues and hence influences the performance and pharmacological activity of the compound as a drug. It covers a lot of different assays investigating parameters such as membrane permeability, metabolic stability and toxicity. The ability to predict those properties rapidly and accurately from the 2D structures of the molecule is extremely helpful.
87 views • 5 slides