vNN-ADMET now uses KNIME Analytics based computational engine at the backend, resulting in minor differences in outputs of the 15 ADMET prediction models. Please visit the following [Link] for more details.

The vNN-ADMET webserver is a publicly available online platform to predict absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties and to build new models based on our variable nearest neighbor (vNN) methodology. We have developed 15 ADMET prediction models to quickly, and with high confidence assess some of the most important properties, such as cytotoxicity, mutagenicity, cardiotoxicity, drug-drug interactions, microsomal stability, and drug-induced liver injury.

Reference: Schyman, P., R. Liu, V. Desai, and A. Wallqvist. vNN web server for ADMET predictions. Frontiers in Pharmacology. 2017 December 4; 8:889. [PDF]



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