Changes in version 1.0.4 (2023-07-19)                  

    o   Implemented ms.compute.PCA for chemical space exploration based on a PCA on fingerprints.

                 Changes in version 1.0.2 (2017-06-20)                  

    o   Patched to match changes in cdk v2.0.

                 Changes in version 1.0.1 (2015-04-08)                  

    o   Updated Rhea database to v.60. Opitimized similarity computations.