What happens in silico does not have to stay in silico. Although some compounds may appear as very promising drug candidates due to high docking scores or phenomenal affinity predictions, they need subsequent validation to avoid in vivo and in vitrodisenchantment. In this webinar interdisciplinary aspects of medicinal chemistry in computer-aided drug design will be discussed and elucidated. We will adress which molecular scaffolds and functional groups can cause problems during lead-optimization, how to read and digest predicted physicochemical properties, where to search for solutions, as well as many other related topics. A must for every medicinal and computational chemistry enthusiast.

Level: Advanced