Optibrium

Property chemical space plots employ a simple PCA approach and enable visualization of the distribution of compounds with respect to their properties. Groups of compounds with a similar profile of properties will cluster together in this type of space. Additionally, if specific descriptors are expected to correlate with an important property, these may be imported into StarDrop and used to define a chemical space. Thus, the diversity of selections with respect to these descriptors may be visualized to aid in library design.