Monday, 3/26/2007
8:00 PM - 10:00 PM  Hyatt Regency Chicago  Riverside Center, Poster

CINF

Sci-Mix Poster Session

Organized by: Leah R. Solla
 

8:00 PM

 

             

 

17

 ChemDB: A public database of small molecules and related chemoinformatics resources
Jonathan Chen Erik Linstead, S. Joshua Swamidass, Dennis Wang, Yimeng Dou, Pierre F. Baldi
 

8:00 PM

 

             

 

18

 Characterization of spectra and other analytical data via combination of two methods: multivariate processing and overlap density heatmap visualization
Gregory M. Banik Michelle D'Souza, Marie Scandone
 

8:00 PM

 

             

 

35

 Creation of an instructional module for small college science librarians highlighting free chemistry resources and their use in undergraduate instruction
Susan K. Cardinal Carrie L. Newsom
 

8:00 PM

 

             

 

37

 A novel cheminformatics study of non-peptidic HIV protease inhibitors using machine learning and statistical too
Barun Bhhatarai Srinivas Alla, Chad R Bernier, Rajni Garg, Sunil Kumar
 

8:00 PM

 

             

 

38

 Pharmacokinetic modeling of anti- HIV protease ritonavir analogs
Raghava Chaitanya Kasara Barun Bhhatarai, Rajni Garg
 

8:00 PM

 

             

 

39

 Understanding the effect of benchmark dataset composition on the validation and optimization of ligand based virtual screening using self-organizing maps
Sebastian G. Rohrer Knut Baumann
 

8:00 PM

 

             

 

40

 Data Mining of NIH DTP Human Tumor Cell Line Screen Data for Anticancer Drug Discovery
Huijun Wang David J Wild
 

8:00 PM

 

             

 

41

 A method for calculating the pKa values of small and large molecules
Ferenc Csizmadia Jozsef Szegezdi
 

8:00 PM

 

             

 

42

 NCL-3D: a 3D natural compound library for computer-aided anticancer drug discovery
Zengjian Hu William M. Southerland
 

8:00 PM

 

             

 

43

 Classification of proteomics data by kernel methods
Kailin Tang Tonghua Li
 

8:00 PM

 

             

 

44

 Fabrication of Chemical and Engineering Devices
KM. Choi  
 

8:00 PM

 

             

 

45

 Gas Chromatography determining 2-methylnaphthalene and 2-methylnaphthoquinone-1,4 in electrosynthesis reaction solution
Song Chengying Liu Zhisheng, Wang Liucheng, Zhao Jianhong, Zhao Mingxing
 

8:00 PM

 

             

 

46

 Loop fitting with a combined force field and shape potential
Brian P. Kelley Geoffrey Skillman, Matthew Stahl, Stanislaw Wlodek, Anthony Nicholls
 

8:00 PM

 

             

 

47

 Optimization of LC/APCI-MS quinone isomer separation
Aidee Gonzalez Krishna L. Foster, Grady Hanrahan
 

8:00 PM

 

   PPT  MP3      

 

48

 Implementation of scientific 'blogging" into chemical laboratory research
Albert C. Fahrenbach Amar H Flood
 

8:00 PM

 

             

 

68

 Surface interaction property based similarity searching with the eHiTS Filter
Darryl Reid Zsolt Zsoldos, Bashir Sadjad, Aniko Simon
 

8:00 PM

 

             

 

73

 Using text mining software to identify drug, compound, and disease relationships in the literature
Darryl A. León  
 

8:00 PM

 

             

 

79

 Developing Semantic Web Service for Chemical Informatics
Xiao Dong David J Wild
 

8:00 PM

 

             

 

81

 Something old, something new: creating an undergraduate chemical information seminar
Teri M. Vogel Barbara A. Sawrey