A.Aguilar

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 potential issues with ADMET (ADMET = Absorption, Distribution, Metabolism, Excretion and Toxicity) properties. 

Webinar presented on October 24, 2012

Webinar Replay: Applications of the ADMET Design Suite for Drug Discovery Projects

Simulations Plus, Inc. develops absorption, distribution, metabolism, excretion, and toxicity (ADMET) modeling &amp; simulation software and provides consulting services for the pharmaceutical, biotechnology, chemical, cosmetics, and food ingredient industries. 

The company has produced specific proprietary software products, such as: 

• GastroPlus™, a physiologically-based simulation tool that predicts the absorption, pharmacokinetics, pharmacodynamics, and drug-drug interactions for compounds administered through intravenous, oral, ocular, or pulmonary routes. 

• ADMET Predictor™, an ADME-Tox property prediction and model building application. 

• MedChem Studio™, a multi-purpose cheminformatics platform used for advanced data mining and de novo molecule design. 

• DDDPlus™, a simulation program for formulation scientists that predicts the in vitro disintegration and dissolution of solid dosage forms under different experimental conditions. 

• MedChem Designer™, a FREE chemical sketching product that combines innovative molecule drawing features with fast and accurate ADMET property predictions from ADMET Predictor. 

As of January 2011, 19 of the top 20 pharmaceutical companies, along with most major regulatory agencies, license the company's software.

A.Aguilar

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