Chemical Space Travel
ChemMedChem2007Vol. 2(5), pp. 636–640
Citations Over TimeTop 10% of 2007 papers
Abstract
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.
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