Introduction to algorithms with a special focus on chemistry:Design of algorithms, data structures and modern C++, search and sort algorithms, graph algorithms, numerical algorithms, algorithms in cheminformatics and bioinformaticsProgramming language: C++

The lecture series introduces methods and applications in cheminformatics and computer-aided drug design. The topics cover molecular representations (2D & 3D), fingerprints and similarity, basics of machine learning, ligand-based and structure-based virtual screening. Theoretical concepts and algorithms presented are illustrated by practical applications and case studies.Progr. language: Python

The lecture series provides an introduction to computer applications in medicinal chemistry. The topics cover molecular representations and similarity, ligand-based virtual screening, and structure-based virtual screening. All theoretical concepts and algorithms presented are illustrated by practical applications and case studies