We are used to considering chemical and biological spaces as two different entities; although they represent a more-interconnected world, in fact they represent a Yin-Yang concept in drug discovery. Chemical-biological space is as vast as the universe and, as Douglas Adams famously said, ‘Space is big. You just won’t believe how vastly, hugely, mind-bogglingly big it is’. However, many researchers are convinced that it is not so infinite, and are designing computational and experimental tools to help identify and explore all possible chemical-biological space. Here, we provide an analysis of their approaches and discuss possible future research studies.

我们习惯于将化学和生物空间视为两个不同的实体。尽管它们代表了一个更加相互联系的世界，但实际上，它们代表了药物发现中的阴阳概念。化学生物空间与宇宙一样广阔，正如道格拉斯·亚当斯（Douglas Adams）曾说过的那样，“空间很大。您就是不敢相信它有多么巨大，巨大，令人难以置信的巨大。” 但是，许多研究人员坚信它不是那么无限，并且正在设计计算和实验工具来帮助识别和探索所有可能的化学生物空间。在这里，我们将对他们的方法进行分析，并讨论可能的未来研究。