Problem Solving by Self Organizing Algorithms

This lecture introduces a special kind of problem solving: Instead of integrating all knowledge about a given problem (in the case of drug development for example 3d-structures of the targets/proteins and/or physico-chemical parameters) the real problem is transformed to an abstract problem which is solved by abstract methods and at last retransformed to a real world solution. This procedure enables algorithms to organize into unknown and unusual solution space. The first part of the lecture introduces methods - used at the Max Planck Institute of Biophysical Chemistry in Goettingen - of algorithmic self organization to study molecular evolution. The second part gives an example of a rapid de novo molecular optimization of an thrombin inhibitor using the principles introduced in the first part.