Increased availability of large repositories of chemical compounds has created new challenges and opportunities for the application of data-mining and indexing techniques to probl...
High-Throughput Docking has emerged as a well establish method for identifying lead components in the process of searching for new drugs. The High-Throughput Docking Service provi...
Joseph Gill, Legand L. Burge III, Zengjian Hu, Wil...
In many real world applications, systematic analysis of rare events, such as credit card frauds and adverse drug reactions, is very important. Their low occurrence rate in large da...
Jie Chen, Hongxing He, Graham J. Williams, Huidong...
The main task of drug discovery is to find novel bioactive molecules, i.e., chemical compounds that, for example, protect human cells against a virus. One way to support solving t...
Heiko Hofer, Christian Borgelt, Michael R. Berthol...