Cheminformatics Overview Seminars, April 21-24, 2008, China.
Cheminformatics and Its Role in Biological and Pharmaceutical Research and Development
Zhenbin Li, Ph.D
Accompanied by Live Demonstration of ChemAxon Tools and Introduction of Free Academic Package
Alex Allardyce
- April 21st 9:30 Chemistry building, College of Chemistry, Sichuan University, Chengdu, China
- April 22nd 9:30 College of Chemistry and Chemical Engineering, Central South University, Changsha, China
- April 23rd 14:30 Room 200 or 201, Main bldg, Institute of Process Engineering, Chinese Academy of Sciences, Beijing, China
- April 24th 14:30 Room 515, Building 8, Yuquan Campus, Zhejiang University, Hangzhou, China
The event will be sign posted at the department noticeboards to help attendees arrive.
Computer technology greatly advances drug discovery by solving chemistry-biology problems using computational methods. This newly-emerged discipline furnishes great opportunities as well as challenges. Accompanied by a live demonstration of some common cheminformatics activities, the presentation will discuss how to effectively exploit this technology to disentangle dilemmas in pharmaceutical and biotech R&D.
Topics to include
- What is cheminformatics?
- Drug discovery process and its reality
- Components and methodologies
- SAR, QSAR, and drug-like properties
- Modeling, CAMD, and optimization
- Challenges pharmaceutical and biotech companies are facing
- Technologies and expertise biotech and pharmaceutical companies are seeking
- Tools commercially available
- Live demonstration of ChemAxon functionality
- ChemAxon’s free Academic Package
Let us know if you can join us, please to confirm attendance.
Functionality freely available with ChemAxon’s Academic Package
- Desktop Applications (GUI)
- Marvin for editing and viewing chemical structures, reactions and queries
- Calculator Plugins for prediction of various properties based on structure
- Instant JChem desktop application for local and remote structure database management, search and prediction
- Standardizer for structure canonicalization
- Application programming interfaces (API)
- JChem Base, Cartridge and Standardizer for working with, managing and searching chemical structures sets on web pages and integrating in custom software applications
- Reactor for synthetically feasible library enumeration/virtual synthesis
- JKlustor, Screen and Fragmenter for virtual screening, library analysis and fragment generation.
Find out about ChemAxon's free Academic Package. Download our software.