A well-designed compound library contains a broad range of truly stored chemicals and/or virtual compounds, which can meet majority requirements and truly jump-start the search for new drugs. In addition, such compound library or chemical library is able to provide comprehensive associated data of the stored chemicals, including chemical structure, purity, quantity, and physicochemical properties. Generally, a compound library is mainly composed of a series of 2D or 3D representations of compounds, which can be applied for various purpose through computational approaches. Library Design https://www.solutions.bocsci.com/library-design.htm