Developing a Compact Chemical Database System Using Marvin Tools

presentation · 15 years ago
by Deniz Akyuz, Charlie Chang, Ying Lin, Joanna Liu, Lei Xia (NeoGenesis Pharmaceuticals, Merck Research Laboratories, Schering-Plough)
MarvinSketch MarvinView

Biotech industry must track chemical structure information throughout the scientific discovery processes. Packaged solutions are usually too expensive for smaller companies and provide more functionality than they need. Marvin Tools provide enough functionality to build a compact and efficient database system. In NeoGenesis, a biotech company recently acquired by Schering-Plough for its unique technology based on affinity selection, we have developed a complete system for storing and retrieving Chemical Structures and properties accurately with fine grained access levels. We used Marvin in Oracle to ensure uniqueness and to calculate molecular properties. The GUIs developed to interact with the system relied on Marvin Components. Marvin tools have saved us at least one year of development time and freed two employees to work on other applications.