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.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据