TopoPlex is a software tool for estimating molecular structure complexity based on a user-provided starting material database. The structural complexity analysis performed by TopoPlex provides a rapid and effective ranking technique which can be used for estimating synthetic accessibility, or for elimination of structures with unfeasible molecular motifs.
The method is based upon the common assumption that a structure has low structural complexity if it contains chain and ring structural motifs (patterns) which frequently occur in existing drugs or commercially available starting materials.
The diagram on the right demonstrates the enumeration of chain and ring patterns of an input structure.
Supported operating systems: