ADMET Rationalisation and Prediction in Drug Discovery: Computational Approaches to Reduce Compound Attrition.

Held in conjunction with Discovery Chemistry Congress

12 Mar 2012, at 14:00-17:30 in Munich, Germany

This course is being presented by Alexander Alex, consultant and owner of Alexander Alex Consulting.

The objective of the course is to provide and understanding of the effective utilisation of computational approaches to rationalise and predict potential ADMET issues in assisting drug discoverers in preventing and managing compound attrition risk.

Learning Objectives

-          Understanding ADMET issues in the pharmaceutical industry.

-          Understanding the main reasons for compound attrition and potential ADMET issues.

-          Learn from examples of compound attrition due to ADMET issues.

-          Link between molecular properties and ADMET and utilisation of experimental and calculated molecular properties.

-          Selecting and optimising lead compounds for ADMET properties.



Topics and Course Organisation

1.       Compound attrition in the pharmaceutical industry: Where are we now?

·         Attrition in the pharmaceutical industry

·         Reasons for attrition

·         Examples for attrition due to ADMET



2.       Compound properties and attrition

·         Link between molecular properties and ADMET

·         Utilisation of experimental and calculated molecular properties

·         Improving ADMET properties with computational methods

 

3.       Drug design and ADMET

·         Optimising lead compounds for potency and ADMET

·         Balancing lipophilicity and polarity

·         Understanding ADMET risk