Kernel Methods in Chemoinformatics

Abstract

Millions of people are suffering from fatal diseases such as cancer, AIDS, and many other bacterial and viral illnesses. The key issue is now how to design lifesaving and cost-effective drugs so that the diseases can be cured and prevented. It would also enable the provision of medicines in developing countries, where approximately 80% of the world population lives. Drug design is a discipline of extreme importance in chemoinformatics. Structure-activity relationship (SAR) and quantitative SAR (QSAR) are key drug discovery tasks.