Matthias Rarey talks at CSSB Seminar Series

The January Issue of Journal of Chemical Information and Modeling features
the ZBH publication on the software SpaceLight on its cover. SpaceLight
is the first tool allowing similarity searching in large chemical spaces like
make-on-demand chemical catalogs. Thanks to efficient algorithms, a standard...

The maximum common substructure (MCS) problem has many applications in science. In cheminformatics, it is used to detect molecules with common building blocks and scaffolds. So far, algorithms exist for the connected and disconnected variant of the MCS. We now develope an algorithm named RIMACS able...