~~NOTOC~~
====== Seminarthemen ======

===== Organisation =====
  * ca. 30-40 Minuten pro Vortrag, danach Diskussion
  * Anwesenheitspflicht
  * Abgabe der Folien ca. 1 Woche vor dem Vortrag bei dem Betreuer
===== Ablauf und Themen =====
^ Nr. ^ Material ^ Teilnehmer ^ Termin ^ Betreuer ^ 
| **Einführung** |||||
|1.| //Keiser et al. (2007)//: Relating protein pharmacology by ligand chemistry \\ //Godl (2008)//: Small molecule selectivity testing \\ //Mencher, Wang (2005)//: Promiscuous drugs compared to selective drugs (promiscuity can be a virtue) | Mehmet Ali Yaman |  entfällt  | CG |
|2.| //Paolini et al. (2006)//: Global mapping of pharmacological space | Philipp Kopp |  12.10  | CG |
| **Netzwerke, Tools zur Visualisierung** |||||
|3.| //Nacher, Schwartz (2008)//: A global view of drug-therapy interactions \\ //Merico et al. (2009)//: How to visually interpret biological data using networks | Dominic Sacré |  12.10  | KK |
|4.| //Nature Review (2009)//: Branching out into chemical space \\ //Wetzel (2009)//: Interactive exploration of chemical space with Scaffold Hunter \\ //NCB News and Views (2009)//: Staring off into chemical space \\ //Agrafiotis, Wiener (2010)//: Scaffold Explorer: An Interactive Tool for Organizing and Mining Structure-Activity Data Spanning Multiple Chemotypes | Michael Hesse |  14.10  | NK |
|5.| //Keiser et al. (2009)//: Predicting new molecular targets for known drugs \\ //Kuhn et al. (2008)//: STITCH: interaction networks of chemicals and proteins \\ //Kuhn et al. (2008)//: STITCH 2: an interaction network database for small molecules and proteins | Thorsten Flügel |  14.10  | KK |
|6.| //Givehchi et al. (2003)//: ChemSpaceShuttle: A tool for data mining in drug discovery by classification, projection, and 3D visualization \\ //Garcia-Serna et al. (2010)//: iPHACE: integrative navigation in pharmacological space \\ //Lounkine et al. (2010)//: SARANEA: A Freely Available Program To Mine Structure-Activity and Structure-Selectivity Relationship Information in Compound Data Sets | Bernhard Dick |  14.10  | NK |
| **Datenintegration** |||||
|7.| //Chen et al. (2010)//: Chem2Bio2RDF: a semantic framework for linking and data mining chemogenomic and systems chemical biology data | Henning Garus |  19.10  | KK |
|8.| //Oprea, Tropsha (2006)//: Target, chemical and bioactivity databases – integration is key \\ //Agrafiotis et al. (2007)//: Advanced Biological and Chemical Discovery (ABCD): Centralizing Discovery Knowledge in an Inherently Decentralized World | Thomas Schmitz |  19.10  | NK |
| **Data Mining** |||||
|9.| //Geppert et al. (2010)//: Current Trends in Ligand-Based Virtual Screening: Molecular Representations, Data Mining Methods, New Application Areas, and Performance Evaluation | Ömer Uzun |  19.10  | KK |
| **Clustering** |||||
|10.| //Downs, Barnard (2002)//: Clustering Methods and Their Uses in Computational Chemistry | Till Schäfer |  21.10  | KK |
| | //Agrafiotis et al. (2007)//: Radial Clustergrams: Visualizing the Aggregate Properties of Hierarchical Clusters \\ //Kibbey, Calvet (2005)//: Molecular Property eXplorer: A Novel Approach to Visualizing SAR Using Tree-Maps and Heatmaps | Iryna Denysenko |  entfällt  | NK |
| **Fragment-basierte Methoden** |||||
|11.| //Wang, Hou (2010)//: Drug and Drug Candidate Building Block Analysis \\ //Deshpande et al. (2005)//: Frequent Substructure-Based Approaches for Classifying Chemical Compounds | Philipp Lewe |  21.10  | NK |

  * CG - [[staff/gutwenger|Carsten Gutwenger]]
  * KK - [[staff/klein|Karsten Klein]]
  * NK - [[staff/kriege|Nils Kriege]]