Speeding up the development of cheminformatics tools with Marvin, the example of Discrete Substructure Analysis at Merck Serono

presentation · 13 years ago
by Christophe Cleva (Merck Serono)

The development of new cheminformatics methods and tools can be very time consuming. We will show how the use of the Marvin library, and other 3rd party libraries (open-source or commercial), can alleviate and speed-up the development process. The example of the Discrete Substructure Analysis software suite at Merck Serono will be shown, as well as other tools developed by reusing the original components.