Implementation of multi-criteria decision making (MCDM) tools in early drug discovery processes
Marie Ledecq from UCB Pharma gave this presentation at the ACS National Spring Meeting 2013.
The current trend in medicinal chemistry is to focus on high quality ligands from the early beginning of the drug design process in order to reduce the drug attrition rate in later stages. Based on this assessment, medicinal chemistry practices are evolving; starting from potency centered drug design strategies towards a much more integrated vision where critical properties have to be optimized in parallel.
From this perspective, some specific MCDM tools can be used to discover better balanced lead compounds. These tools include the use of Derringer’s desirability functions, and Pareto front based optimizers. In this presentation, it will be shown how these tools can be implemented to be used at several levels of the drug design process: to follow project progression and take enlightened decisions about series, and to help in the data analysis and the design of new compounds.
These are the slides that Marie presented.
A copy of Marie’s slides is available as a PDF file.