Workshops & Special Sessions
eScience for cheminformatics and drug discovery
Organizers
- David Wild, Indiana University, USA
- Rajarshi Guha, Indiana University, USA
- Marlon Pierce, Indiana University, USA
Abstract
This workshop will cover a variery of aspects of the emerging application of eScience and grid computing in chemistry, cheminformatics and computer-aided drug discovery. We will request papers that address one or more of the following areas:
- Computation on extremely large chemical datasets (>10m chemical structures)
- Distributed data mining of large chemical and biological datasets
- Grand challenges in cheminformatics
- High impact opportunities for cheminformatics and eScience
- Cloud computing infrastructure requirements for cheminformatics
- Chemistry-aware search engines and journal article processing tools
- Natural Language Processing and Semantic Web applications
Date and Time
Friday, December 12, 9:30–11:30 a.m.
Program
- 9:30–10 a.m.
- An Automatic Drug Discovery Workflow Generation Tool using Semantic Web Technologies
Xiao Dong, David Wild - 10–10:30 a.m.
- SQMD: Architecture for Scalable, Distributed Database System built on Virtual Private Servers
Kangseok Kim, Rajarshi Guha, Marlon Pierce - 10:30–11 a.m.
- DrugScreener-G: Towards an Integrated Environment for Grid-based Large-scale Virgual Screening & Drug Discovery
Jincheol Kim, Nhan Nguyen Dang, Sehoon Lee, Soonwook Hwang, Vincent Breton - 11a.m.–11:30 a.m.
- Open Drug Discovery in Malaria Research
Jean-Claude Bradley, Rajarshi Guha, Philip Rosenthal, Khalid Mirza, Jiri Gut
