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 CINF Rachelle Bienstock  Monday, August 20, 2012 

Sci-Mix Session
Sci-Mix - EVE Session
Organizers: Rachelle Bienstock
Duration: 8:00 pm - 10:00 pm
 Pub #Presentation Title
 5Application of automated and validated virtual screening workflows: A hand-tool for medicinal chemists to generate and/or evaluate ideas
Ferenc Szalai, Márk Sándor, Zoltán Szalai, Gáspár Körtesi, Enikő Dorogi, Róbert Kiss.
 21Cheminformatic/bioinformatic mining of large corporate databases for drug repurposing
William Loging, Raul Rodriguez-Esteban,, Jon Hill, Thomas Freeman.
 42Torsion Fingerprint Deviation: A novel measure to compare small molecule conformations
Christin Schärfer, Tanja Schulz-Gasch, Matthias Rarey, Wolfgang Guba.
 45Prioritization of docking poses in human serotonin and dopamine transporters by the use of common scaffold clustering
Amir Seddik, Barbara Zdrazil, Rene Weissensteiner, Harald H Sitte, Gerhard F Ecker.
 58Evaluating the quality and performance of automatic atom mapping algorithms
Daniel M Lowe, Roger A Sayle.
 70Online CHEmical Modeling environment (OCHEM) is an innovative open collaborative platform for chemistry
Iurii Sushko, Sergii Novotarskyi, Robert Körner, Ahmed Abdelaziz, Wolfram Teetz, Igor V. Tetko.
 81Federated chemical searching across SharePoint and E-Notebook
Rudy Potenzone, Phil McHale, Megean Schoenberg, Alex Jewett, Kate Blanchard, David Gosalvez, Philip Skinner.
 114Definition and visual exploration of the biologically relevant chemical space
Obdulia Rabal, Julen Oyarzabal.
 122Evaluation of data quality in currently available compound libraries
Ferenc Szalai, Márk Sándor, Gáspár Körtesi, Enikő Dorogi, Zoltán Szalai, Róbert Kiss.
 126Chemogenomic approach for QSAR modeling of inhibition activity against five major cytochrome P450 isoforms
Sergii Novotarskyi, Igor V. Tetko.
 127Activity landscape modeling of PPAR ligands with dual-activity difference maps
Oscar Méndez-Lucio, Jaime Pérez-Villanueva, Rafael Castillo, José L Medina-Franco.
 128Combining HTS in vitro assays with in silico descriptors for liver toxicity modeling
Ahmed M Abdelaziz, Igor V Tetko.
 134Descriptors and search tools for porous materials
Richard L Martin, Maciej Haranczyk.
 137Statistical significance of 3D molecular similarity scores
Sunghwan Kim, Evan E Bolton, Stephen H Bryant.
 141Use of an institutional repository to promote chemical sciences collections at the University of Florida
Donna T. Wrublewski, Lois J. Widmer, Laurie N. Taylor, Dina Benson.
 145Digital rights management and e-books: Perspectives from a research library
Tara Cataldo, Donna T. Wrublewski.