| Session 1: QSAR in OMICS and Systems Biology
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| Prof. Tudor Oprea, University of New Mexico
| FB
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| 08:09:22:09.00
| Top-Down Systems Biology and Integrative Approaches to Superorganism Medicine
| 
| Prof. Jeremy K Nicholson, Imperial College London
| FB
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| 08:09:22:10.00
| Systems chemical biological studies on enzymatic metabolic networks and inhibitors
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| Dr. Elebeoba May, Sandia Laboratories | FB
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| 08:09:22:11.00
| Potentialities of PLSand OPLS in 'OMICS' cancer diagnostics and elucidation of antiumour drugs mechanism of action
| 
| Prof. Guiseppe Musumarra, University of Catania | B
|
| 08:09:22:11.20
| Building Blocks for Metabolic simulation: Automated elucidation of metabolite structures
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| Dr. Christoph Steinbeck, European Bioinformatics Institute (EBI), Cambridge | B
|
| 08:09:22:11.40
| Theoretical structural metabolomics
| 
| Dr Joannis Apostolakis LMU, Munich | B
|
| 08:09:22:12.00
| QSAR: dead or alive?
|
| Dr. Arthur M. Doweyko, BMS, Princeton
| FB
|
| Session 2: QSAR
| 
| Ismail Yalcin, Ankara University
| B
|
| 08:09:22:14.00
| Beyond QSAR
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| Prof. Yvonne Martin, Abbot Laboratories | FB
|
| 08:09:22:14.50
| Linking chemical and biological similarity of small molecules
| 
| Pekka Tiikkainen, University of Turku | FB
|
| 08:09:22:15.10
| A Novel Conservative design for fast followers – Focused Hierarchical design of a peptide library targeted at M. tuberculosis Ribonucleotid reductase
| 
| Daniel Muthas, Uppsala University | B
|
| 08:09:22:16.00
| A QSAR study on indole-based PPAR-y agonists in respect to receptor binding and gene transactivation data
| 
| Prof. Anna Tsantili-Kakoulidou, University of Athens | B
|
| 08:09:22:16.20
| QSAR modelling of small datasets
|
| Dr. Alexander Golbraikh, University of North Carolina Chapel Hill
| FB
|
| 08:09:22:16.40
| QSAR for Estimation of human volume of distribution
|
| Dr. Taravat Ghafourian, University of Kent, Chatham | B
|
| 08:09:22:17.00
| Development of Fast, Interpretable 2D pharmacophore models for predicting hERG and NaV1.5 Cardiac Ion Channel safety liabilities using TRUST fingerprints
|
| Dr. Claire Gavaghan, AstraZeneca, Mölndahl | B
|
| 08:09:22:17.20
| Global or local QSAR: is there a way out?
| 
| Dr. Miklos Feher, University Health Network, Toronto | FB
|
| Session 3: QSAR and Natural Product Medicine
|
| Prof. Michael Sjöström, Umeå University
| FB
|
| 08:09:23:09.00
| PLS-Trees and QSAR
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| Prof. Svante Wold, Umeå University & MKS Umetrics | B
|
| 08:09:23:09.45
| Metabolomics in nutritional studies
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| Dr. Jon Gabrielsson, AcureOmics AB, Umeå | FB
|
| 08:09:23:12.00
| SIRC/TCM: a Database of Traditional Chinese Medicine
|
| Heikki Käsnänen, University of Kuopio | FB
|
| Session 4: Molecular Modeling and Chemical Properties
|
| Dr. Anna Linusson, Umeå University
| FB
|
| 08:09:23:14.00
| Does pKa predictions matter anymore?
|
| Prof. Gabriele Cruciani, University of Perugia | B
|
| 08:09:23:14.50
| Cytotoxicity and 3D-QSAR Analysis of Lmaellarind against human hormone dependent breast cancer (T47D) and Humane hormone independent breast cancer (MDA-MB231)
| 
| Dr. Poonsiri Thipnate, Katsetsart University, Bangkok | B
|
| 08:09:23:15.10
| GABAa and GABAc Receptors: Molecular modelling and QSAR analysis of selective ligands
| 
| Dr. Vladimir A. Palyulin, Moscow State University | B
|
| 08:09:23:15.30
| Fast and accurate method for flexible ligand superposition and shape-based screening
|
| Dr. Jianxin Duan, Schrödinger | B
|
| 08:09:23:16.20
| Predicted 3D structures for Coupled Receptors G-Protein and ligand-GPCR complexes for agonists, antagonists, and inverse agonists
|
| Prof. William A. Goddard III, California Institute of Technology | B
|
| 08:09:23:17.00
| Design of New Chemical Entities as selective COX-2 inhibitors using Structure optimisation by QSAR
| 
| Dr. Shashikant V Bhandari, AISSMS College of Pharmacy, Pune, Maharashtra | B
|
| 08:09:23:17.20
| A novel 3D QSAR metod exploiting protein flexibility to kinase inhibition
|
| Michael P. Mazanetz, University of Nottingham | B
|
| 08:09:23:17.40
| An automated metod to interface ligand- and structure-based drug design
|
| Dr. Orazio Nicolotti, University of Bari, Bari | B
|
| Session 5: Combinatorial Chemistry and Virtual Screening
|
| Prof. Anna Tsantlli, University of Athens
| B
|
| 08:09:24:09.00
| From Molecular Interaction Fields to Enzyme Inhibitors and Biochemical Networks
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| Prof. Rebecca Wade, EMBL Research, Heidelberg | FB
|
| 08:09:24:09.45
| Minimizing Benchmark Dataset Bias in Ligand Based viritual screening by maximum unbiased validation (MUV) Datasets
|
| Prof. Knut Baumann, Braunschweig Univgersity of Technology | B
|
| 08:09:24:10.05
| Data mining and comperative analysis of chemosensitivity and gene expression profiles for human tumor cell lines
| 
| Dr. Svava Ósk Jónsdóttir, Technical University of Denmark | B
|
| Session 6: QSAR in Toxicology and Environmental Research
|
| Dr. Katrin Lundstedt-Enkel, Uppsala University
| FB
|
| 08:09:24:10.50
| Human and mammalian toxic equivalency factors for dioxins and dioxin-like compounds: The who 2005 re-evaluation
| 
| Prof. Martin van den Berg, Utrecht University | B
|
| 08:09:24:11.35
| A combined use of in vitro screening and cheminformatics approaches improves the accuracy of in vivo toxicity prediction for environmental chemicals
|
| Prof. Alex Tropsha, Division of Medicinal Chemistry & Natural Products, University of North Carolina | FB
|
| 08:09:24:12.05
| Prediction of cytochrome P450 inhibition by different approaches of QSAR modelling
| 
| Dr. Veronique Hamon, Technologie SERVIER, Orléans | B
|
| Session 7: Case Studies in QSAR
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| Prof. Yvonne Martin, Abbott Laboratories
| FB
|
| 08:09:25:09.00
| Understanding QSAR: Do we always use the correct structural models to establish affinity correlation?
|
| Prof. Gerhard Klebe, University of Marburg | B
|
| 08:09:25:09.50
| Computer-aided drug design for the beta2-adrenergic receptor
|
| Dr. Peter Kolb, University of San Francisco | B
|
| 08:09:25:12.00
| QSAR investigation of novel compounds targeting the serotonin receptors
|
|