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 5 Ligand-Based and Structure-Based Approaches to Drug Design [Lecture Hall]
Session Chair
Emmanual MIKROS (University of Athens, Athens, Greece)
09:00 IS08 - COMPUTER-AIDED DISCOVERY OF ENZYME INHIBITORS
William JORGENSEN (Yale University, New Haven, USA)
09:30 IS09 - ON THE DEVELOPMENT OF DDX3 INHIBITORS: AN EFFICIENT COMPUTATIONAL WORKFLOW FOR A PECULIAR DRUG TARGET PROTEIN
Maurizio BOTTA (University of Siena, Siena, Italy)
10:00 OP13 - LIGAND SCAFFOLD OPTIMIZATION GUIDED BY ARTIFICIAL INTELLIGENCE
Thomas EVANGELIDIS (Masaryk University, Brno, Czech Republic)
10:20 OP14 - TRULY TARGET-FOCUSED PHARMACOPHORE MODELING: A NOVEL TOOL FOR MAPPING INTERMOLECULAR SURFACES
Andrea VOLKAMER (Charite Universitaetsmedizin Berlin, Berlin, Germany)
10:40-11:10 Coffee Break
10:55-11:05 Flash Oral Presentation (FOP Session-4) [Poster Hall]
FOP05 - JAMDA - JUST A MOLECULAR DOCKING ALGORITHM
Florian FLACHSENBERG (University of Hamburg, Hamburg, Germany)
Session 6 Big Data Analysis [Lecture Hall]
Session Chair
Eric MARTIN (Novartis Institutes for Biomedical Research, California, USA)
11:10 IS10 - ASSESSMENT AND PREDICTION OF BAD ACTORS AND FREQUENT HITTERS
Johannes KIRCHMAIR (University of Hamburg, Hamburg, Germany)
11:40 IS11 - MAPPING OF DRUG-LIKE CHEMICAL UNIVERSE WITH REDUCED COMPLEXITY MOLECULAR FRAMEWORKS
Aleksejs KONTIJEVSKIS (Lead Discovery, Nuevolution, Copenhagen, Denmark)
12:10 OP15 - PROPER DATA MODELING IS KEY IN ADVANCED COMPLEX DATA ANALYTICS: APPLICATIONS TO STRUCTURE BASED DRUG DESIGN
Daniel ÁLVAREZ GARCÍA (Discngine, Paris, France)
12:30 OP16 - MAPPING OF THE AVAILABLE CHEMICAL SPACE VERSUS THE CHEMICAL UNIVERSE OF LEAD-LIKE COMPOUNDS
Dragos HORVATH (Univ. Strasbourg, Strasbourg, France)
12:50-13:50 Lunch & Poster Session
13:50-14:00 Flash Oral Presentations (FOP Session-5) [Poster Hall]
FOP06 - FUTURE PERSPECTIVE IN DATA MINING, DATA VISUALIZATION AND DEEP LEARNING FOR KINASE RESEARCH
Fabrice CARLES (Universite D’Orleans, Orleans, France)
14:00-14:10 FOP07 - FISHING FOR NEW ANTI-HIV AGENTS IN THE BIG DATA FROM THE SYNTHETICALLY ACCESSIBLE VIRTUAL INVENTORY (SAVI)
Dmitry DRUZHILOVSKIY (Institute of Biomedical Chemistry, Moscow, Russia)
Session 7 Big Data Analysis & Informatics in the Era of Biological Complexity [Lecture Hall]
Session Chair
William JORGENSEN (Yale University, New Haven, USA)
14:15 IS12 - MASSIVELY MULTI-TARGET "PROFILE-QSAR 2.0": IC50 PREDICTIONS AS ACCURATE AS HTS FOR 6,000 NOVARTIS ASSAYS
Eric MARTIN (Novartis Institutes for Biomedical Research, California, USA)
14:45 IS13 - CAN ROBOTS REPLACE HUMAN RATERS WHEN MEASURING CLINICAL OUTCOMES?
Dimitris AGRAFIOTIS (Covance/LabCorp, Princeton, New Jersey, USA)
15:15 OP17 - DIFACQUIM TOOLS FOR CHEMINFORMATICS: AN OPEN PLATFORM FOR GLOBAL DIVERSITY AND ACTIVITY LANDSCAPE ANALYSIS
Jose MEDINA-FRANCO (Universidad Nacional Autonoma de Mexico, Mexico City, Mexico)
15:35 OP18 - DRUGLIKENESS AND DRUG MARKETABILITY PREDICTIONS BASED ON DEEP LEARNING AUTOENCODER
Jianfeng PEI (Peking University, Beijing, China)
15:55 OP19 - DEVELOPMENT OF A FRAGMENT-BASED IN SILICO PROFILER FOR MICHAEL ADDITION THIOL REACTIVITY
David EBBRELL (Liverpool John Moores University, United Kingdom)
16:15-16:45 Coffee Break
16:30-16:40 Flash Oral Presentation (FOP Session-6) [Poster Hall]
FOP08 - STRUCTURAL PREDICTIONS OF THE DIMERIC FORM OF THE MAMMALIAN TSPO RECEPTOR
Riccardo GUARESCHI (Forschungszentrum Juelich, Juelich, Germany)
Session 8 New avenues in QSAR Methodology and Applications [Lecture Hall]
Session Chair
Johannes KIRCHMAIR (University of Hamburg, Hamburg, Germany))
16:45 IS14 - METAQSAR: A MANUALLY CURATED DATABASE ON SITES OF METABOLISM OFFERS NEW AVENUES FOR METABOLISM PREDICTION
Angelica MAZZOLARI (University of Milan, Milan, Italy)
17:15 OP20 - A SERIES OF WEB APPLICATIONS THAT BRING 3-D QSAR TO ALL ELECTRONIC DEVICES
Rino RAGNO (University of Rome, Roma, Italy)
17:35 OP21 - DEVELOPMENT OF PROTEIN-PROTEIN INTERACTION (PPI) INHIBITORS USING NATURAL PRODUCT COMPOUND LIBRARY AND FRAGMENT MOLECULAR ORBITAL (FMO) METHOD
Kyoung Tai NO (Yonsei University, Seoul, South Korea)
17:55 OP22 - STRUCTURE-BASED MOLECULAR DESIGN OF HIV-1 PROTEASE INHIBTORS TO COMBAT HIV/AIDS DRUG-RESISTANCE
Arun GHOSH (Purdue University, West Lafayette, USA)
18:15 OP23 - HOW PRECISE ARE PREDICTIONS FROM OUR QSAR MODELS FOR NEW QUERY COMPOUNDS?
Kunal ROY (Jadavpur University, Kolkata, India)
18:35 OP24 - STRUCTURE-BASED IDENTIFICATION OF DUAL LIGANDS AT THE A2AR AND PDE10A WITH ANTI-PROLIFERATIVE EFFECTS UPON LUNG CARCINOM
Leen KALASH (University of Cambridge, United Kingdom)

IS: Invited Speach

OP: Oral Presentation

FOP: Flash Oral Presentation

QCMS Meeting: QSAR, Cheminformatics and Modeling Society Meeting

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