Chair Ismail YALCIN Ankara University - Turkey
Co-Chairs Anna TSANTILI N.K. Uni. of Athens - Greece Esin AKI-YALCIN Ankara University - Turkey
Symposium Secretariat Sinan SENEM
  • Birlik Mah. 457. Sokak 29/2 Cankaya - Ankara/TURKEY
  • Phone : +90 312 447 84 92
  • Fax : +90 312 447 84 02
  • info@euroqsar2018.org

Post Congress

SCIENTIFIC PROGRAM OF THE EuroQSAR 2018

Session 13 New avenues in QSAR Methodology and Applications [Lecture Hall]
Session Chair
David WINKLER (Monash University, Parkville, Australia)
09:00 IS21 - CAPITALIZING ON THE STRENGTHS OF THE US NATIONAL LABORATORIES FOR IMPACT ON HEALTH OUTCOMES
Marti HEAD (Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA)
09:30 OP37 - ESTIMATING PREDICTIVE UNCERTAINTY FOR ENSEMBLE REGRESSION MODELS BY GAMMA ERROR ANALYSIS
Bob CLARK (Simulations Plus, Inc., Lancaster, USA)
09:50 OP38 - NEW INTEGRATED COMPUTATIONAL STRATEGY FOR SKIN SENSITIZATION ASSESSMENT
Eugene MURATOV (University of North Carolina, Chapel Hill, USA)
10:10 OP39 - INTERACTIONS BETWEEN CANDESARTAN AND ITS PRODRUG CANDESARTAN CILEXITIL IN COMPLEX WITH HP-B-CYCLODEXTRIN
Thomas MAVROMOUSTAKOS (National and Kapodistrian University of Athens, Athens, Greece)
10:30-11:00 Coffee Break
Flash Oral Presentation (FOP Session-10) [Poster Hall]
11:00-11:20 FOP13 - A COMPARATIVE STUDY OF PREDICTION OF MULTI-TARGET TOXICITY FOR A BROAD CHEMICAL SPACE
Sergey SOSNIN (Skolkovo Institute of Science and Technology, Moscow, Russia)
Session 14 New avenues in QSAR Methodology and Applications [Lecture Hall]
Session Chair
Marti HEAD (Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA)
11:00 OP40 - TOWARDS SHIFTING THE QSAR PARADIGM FOR NANOMEDICINE AND NANOTOXICOLOGY
Tomasz PUZYN (University of Gdansk, Gdansk, Poland)
11:20 OP41 - A UNIQUE IN SILICO MODEL FOR PARALLEL ADMET OPTIMIZATION AND BIOLOGICAL ACTIVITY MOLECULAR DESIGN
Giovanni BOCCI (University of New Mexico, Albuquerque, New Mexico, USA)
11:40 OP42 - QUANTIFYING DEGREE OF AROMATICITY FROM STRUCTURAL FEATURES
David PONTING (Lhasa Limited, Leeds, United Kingdom)
12:00 OP43 - DEEPHUNT: HEPATOTOXICITY USING NEURAL NETWORKS
Ece ASILAR (University of Vienna, Vienna, Austria)
12:20 OP44 - ON THE USE OF (QM) IEF/PCM-MST-DERIVED HYDROPHOBIC CONTRIBUTIONS AS PHYSICOCHEMICAL DESCRIPTORS IN 3D-QSAR: THE PHARMQSARTM APPROACH
Oscar REY (Pharmacelera, Barcelona, Spain)
12:40-14:00 Lunch
Session 15 Ligand-Based and Structure-Based Approaches to Drug Design [Lecture Hall]
Session Chair
Zoe COURNIA (Academy of Athens, Athens, Greece)
14:00 IS22 - MASSIVE COMPUTATIONAL DOCKING EXPERIMENTS IDENTIFY NOBLE GASES AS NOVEL 'ATOMIC' DRUGS WITH AN UNEXPECTEDLY RICH SPECTRUM OF PHARMACOLOGICALLY USEFUL ACTIVITY
David WINKLER (Monash University, Parkville, Australia)
14:30 IS23 - COMPARATIVE ASSESSMENT OF SCORING FUNCTIONS: THE CASF-2016 UPDATE
Renxiao WANG (Chinese Academy of Sciences, Shanghai, China)
15:00 OP45 - EFFECTIVE USE OF SMALL MOLECULE AND PROTEIN STRUCTURAL DATA IN DRUG DISCOVERY USING CSD-CROSSMINER
Francesca STANZIONE (The Cambridge Crystallographic Data Centre, Cambridge, UK)
15:20 OP46 - NOVEL TNF-ALPHA INHIBITORS FROM SMALL MOLECULE AND NATURAL PRODUCT LIBRARIES USING FRAGMENT-DOCKING DRIVEN E-PHARMACOPHORE MODELING AND BINARY QSAR-BASED VIRTUAL SCREENING APPROACHES
Serdar DURDAGI (Bahcesehir University, Istanbul, Turkey)
15:40-16:10 Coffee Break
Session 16 New avenues in QSAR Methodology and Applications [Lecture Hall]
Session Chair
İsmail YALCIN (Ankara University, Ankara, Turkey)
16:10 OP47 - INSIGHT INTO THE MECHANISM OF THE PIK3CA E545K ACTIVATING MUTATION USING MD SIMULATIONS
Zoe COURNIA (Academy of Athens, Athens, Greece)
16:30 OP48 - HOW A QSAR-BASED INTEGRATED APPROACH CAN MAKE THE DIFFERENCE IN DRUG DISCOVERY
Filomena MARTINS (Universidade de Lisboa, Lisbon, Portugal)
16:50 OP49 - DISCOVERY OF NOVEL 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS BY VIRTUAL SCREENING AND PHARMACOLOGICAL EVALUATION
Abdurrahman OLGAC (Gazi University, Ankara, Turkey)
17:10 Closing Ceremony
17:45
18:30
19:00
19:30
20:00
20:30
21:00
21:30
22:00
22:30

IS: Invited Speach

OP: Oral Presentation

FOP: Flash Oral Presentation

QCMS Meeting: QSAR, Cheminformatics and Modeling Society Meeting

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