Chemical Space Travel
Ruud van Deursen, Jean‐Louis Reymond · ChemMedChem · 2007
Space the final frontier! Modern medicine depends on the discovery of new drugs however, detailed knowledge of all possible organic molecules is not available. To travel in this so-called chemical space and discover new compounds, we wrote a spaceship program combining a point mutation generator with a selection module for target similarity. Thus, allowing travel from a starting molecule A to a target molecule B through a continuum of structural mutations.