MedChem Studio™

Advanced data mining and molecule design

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ADMET Module

What is the ADMET Module?

Generating new molecular structures is commonplace. Many software programs can create huge numbers of new virtual molecules. The trick is to use what is known to intelligently guide the process, and then to have a way to filter out molecules that will not have sufficient activity, or that will fail because of any of many ADMET properties.

The ADMET Module in MedChem Studio uses the same models that are available in ADMET Predictor to fill the spreadsheet with predicted values.  It also allows one to generate metabolites for large batches of compounds.

Resources

  • Malaria Project Webinar

    5.3.12 - This webinar by Dr. Robert Clark describes the in silico design, synthesis, and biological testing of novel antimalarial drug candidates generated by analysis of public HTS data. admet predictor medchem studio gastroplus

    Watch Now

When combined with the powerful ADMET Risk™ scoring function in ADMET Predictor™, MedChem Studio now provides chemists with an unprecedented capability to see how changes in molecular structures affect not just one or a handful of properties, but over 140 properties from the industry’s top-ranked property prediction program. No other technology offers as much potential for reducing the time and money required to discover new structures that can become tomorrow’s medicines.

Calculate ADMET properties using an embedded version of the best-in-class ADMET Predictor software. For descriptions of the predicted properties, please consult the ADMET Predictor pages of our website.