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Profil
| Derzeitige Stellung | Professor W-3 und Äquivalente |
|---|---|
| Fachgebiet | Naturstoffchemie,Pharmakologie |
| Keywords | Self-Organizing Map (SOM), Computer-aided drug design, Ligand-based virtual screening (LBVS), Chemical dimension reduction, Structure-activity relationship |
Aktuelle Kontaktadresse
| Land | China, VR |
|---|---|
| Ort | Beijing |
| Universität/Institution | Beijing University of Chemical Technology |
| Institut/Abteilung | Department of Pharmaceutical Engineering |
| Website | www.buct.edu.cn |
Gastgeber*innen während der Förderung
| 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 |
| Beginn der ersten Förderung | 01.01.2001 |
Programm(e)
| 2000 | Humboldt-Forschungsstipendien-Programm |
|---|
Publikationen (Auswahl)
| 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. |