Go to content
- {{#headlines}}
- {{title}} {{/headlines}}
Profile
Academic position | Full Professor |
---|---|
Research fields | Natural Product Chemistry,Pharmacology |
Keywords | Self-Organizing Map (SOM), Computer-aided drug design, Ligand-based virtual screening (LBVS), Chemical dimension reduction, Structure-activity relationship |
Current contact address
Country | People's Republic of China |
---|---|
City | Beijing |
Institution | Beijing University of Chemical Technology |
Institute | Department of Pharmaceutical Engineering |
Homepage | www.buct.edu.cn |
Host during sponsorship
Prof. Dr. Johann Gasteiger | Computer-Chemie-Centrum, Friedrich-Alexander-Universität Erlangen-Nürnberg, Erlangen |
---|---|
Prof. Dr. Jürgen Bajorath | Life and Medical Sciences Center (LIMES), Rheinische Friedrich-Wilhelms-Universität Bonn, Bonn |
Start of initial sponsorship | 01/01/2001 |
Program(s)
2000 | Humboldt Research Fellowship Programme |
---|
Publications (partial selection)
2004 | Ai-Xia Yan, J. Gasteiger, M. Krug, S. Anzali: Linear and nonlinear functions on modeling of aqueous solubility of organic compounds by two structure representation methods. In: Journal of Computer-Aided Molecular Design, 2004, 75-87 |
---|---|
2003 | Ai-Xia Yan, Johann Gasteiger: Prediction of Aqueous Solubility of Organic Compounds Based on a 3D Structure Representation. In: J. Chem. Inf. Comput. Sci., 2003, 429-434 |
2003 | Ai-Xia Yan, J. Gasteiger: Prediction of Aqueous Solubility of Organic Compounds by Topological Descriptors. In: QSAR & Combinatorial Science, 2003, 821-829 |
2002 | Ai-Xia Yan, Johann Gasteiger, Thomas Kleinoder: The prediction of Water Solubility and of pKa-Values by Physicochemical Descriptors. 223rd ACS National Meeting. American Chemical Society, 2002. |