Team
Director
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Head of Laboratory Phone : +33 (0)3 68 85 15 60 e-mail : varnek@unistra.fr |
Researchers
![]() | Dr. Dragos HORVATH Senior Scientist (DR2 CNRS) Phone : +33 (0)3 68 85 13 21 e-mail : dhorvath@unistra.fr
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![]() | Dr. Gilles MARCOU Assistant Professor Phone : +33 (0)3 68 85 13 04 e-mail : g.marcou@unistra.fr
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![]() | Dr. Olga KLIMCHUK Engineer Phone : +33 (0)3 68 85 13 21 E-mail : o.klimchuk@unistra.fr
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![]() | Dr. Fanny BONACHERA Research Engineer (IR2 CNRS) Phone : +33 (0)3 68 85 13 21 E-mail : f.bonachera@unistra.fr
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Postdocs
![]() | Arkadii LIN Research project : Big Data analysis using Generative Topographic Mapping approach E-mail : arkadiyl18@gmail.com |
PhD students
![]() | Iuri CASCIUC Research project : Modélisation chemoinformatique de profils d’activité biologique E-mail : icasciuc@unistra.fr
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![]() | Filippo LUNGHINI Research project : Développement des modèles QSAR de certaines propriétés physicochimiques et (eco)toxicologiques d’intérêt industriel. E-mail : lunghini.filippo@etu.unistra.fr
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![]() | Yuliana ZABOLOTNA Research project : E-mail : yzabolotna@unistra.fr
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![]() | William BORT Research project : E-mail : william.bort@etu.unistra.fr |
Invited members
![]() | 2005-2018 Dr. Igor BASKIN From : Moscow State University, Russia E-mail : igbaskin@gmail.com |
![]() | 2010-2018 Dr. Timur MADZHIDOV From : A.M. Butlerov Institute of Chemistry, Kazan Federal University, Russia E-mail : Timur.Madzhidov@kpfu.ru |
![]() | 2016 Dr. Joao Aires de Sousa From : New University of Lisbon, Portugal |
![]() | 2007-2008, 2016 Prof. Jürgen BAJORATH From : Chair of Life Science Informatics, Bonn-Aachen International, Center for Information Technology, University of Bonn, Germany |
![]() | 2015 Dr. Thierry Langer From : University of Vienna, Austria |
![]() | 2012 Prof. Hiroshi Chuman From : University of Fukuoka, Japan |
![]() | 2010 Prof. Kimito Funatsu From : University of Tokyo, Japan |
![]() | 2000-2015 Dr. Vitaly SOLOVYEV From : Institute of Physical Chemistry, Russian Academy of Sciences (Moscou), Russia E-mail : solovev-vp@dio.ru |
![]() | 2009 Prof. Gisbert Schneider From : University of Frankfurt, Germany |
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Prof. Alexander TROPSHA From : School of Pharmacy, University of North Carolina at Chapel, USA |
![]() | 2007 Dr. Christoph Steinbeck From : University of Cologne, Germany |
![]() | 2005 Prof. Igor TETKO From : Helmholtz Zentrüm Munchen, Germany |
![]() | 2005 Prof. Johann GASTEIGER From : University of Erlangen-Nürnberg , Germany |
Former students and collaborators
![]() | Boris SATTAROV (M2 Student, 2018 - 2019) |
![]() | Philippe GANTZER (M2 Student, 2018 - 2019)
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![]() | Dr. Timur GIMADIEV (PhD Student, defended 11-07-2018) Thesis title : Predictive models for kinetic and thermodynamic parameters of reactions E-mail : timur.gimadiev@gmail.com
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![]() | Dr. Marta GLAVATSKIKH (PhD Student, defended 09-07-2018) Thesis Title : Modeling and visualization of complex chemical data using local descriptors E-mail : mvglavatskikh@gmail.com
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![]() | Dr. Olena MOKSHYNA (Post-doc, 2017) Research project : QSPR modeling of electrolytes for Li-batteries E-mail : olena.mokshyna@upol.cz
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![]() | Dr. Grace DELOUIS (PhD Student, defended 26-09-2017) Thesis Title : QSPR modelling of technologically interesting solvents : the ionic liquids and the electrolytes for Li-ion batteries E-mail : gdelouis@unistra.fr
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![]() | Dr. Pavel SIDOROV (PhD Student, defended 25-09-2017) Thesis Title : Analysis of the chemical space of antimalarial compounds by generative topographie mapping E-mail : pavel.sidorov@unistra.fr
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Dr. Shilva KAYASTHA (PhD Student, defended 19-09-2017) Thesis Title : New methods of multiscale chemical space analysis : visualization of structure-activity relationships and structural pattern extraction
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![]() | Dr. Kyrylo KLIMENKO (PhD Student, defended 14-03-2017) Thesis Title : Computer-aided drug design of broad-spectrum antiviral compounds E-mail : alhimikir@gmail.com
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![]() | Gleb SITNIKOVA Research project : Induction transfer methods, molecular fields kernels E-mail : jsg08sun@yandex.ru |
![]() | Dr. Aurélie DE LUCA (PhD Student, defended 08-09-2015) Thesis Title : Optimal chemical spaces for similarity searching, classification and modelling of chemical reactions represented by condensed graphs of reactions E-mail : aurelie.de-luca@unistra.fr |
![]() | Dr. Héléna Alexandra GASPAR (PhD Student, defended 29-09-2015) Thesis Title : Cartography of chemical space E-mail : h.gaspar@unistra.fr or hagaspar@yahoo.fr
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![]() | Dr. Fiorella RUGGIU (PhD Student, defended 22-09-2014) Thesis Title : Property-enriched fragment descriptors for adaptive QSAR E-mail : ruggiu.fiorella@gmail.com |
![]() | Dr. Tetiana KHRISTOVA (PhD Student, defended 15-11-2013) Thesis Title : Computer-aided design of novel antithrombotic agents
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![]() | Dr. Christophe MULLER (PhD Student, defended 24-01-2013) Thesis subject : Structure-activity relationships for metabolism and toxicity
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![]() | Dr. Laurent HOFFER (PhD Student, defended 03-06-2013) Thesis Title : Development and validation of molecular modeling tool S4MPLE : application to in silico fragment-based drug design, using molecular docking and virtual optimization of fragment-like compounds
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![]() | Dr. Ioana OPRISIU (PhD Student, defended 28-03-2012) Thesis Title : QSPR modeling of non-additive binary mixtures : application to the azeotropic behaviour E-mail : ioprisiu@gmail.com
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![]() | Evgeniy KONDRATOVICH Themes of research : Transductive learning |
![]() | Dr. Sebastien CONILLEAU (Post-doc) Themes of research : Flexible docking E-mail : sconilleau@gmail.com |
![]() | Dr. Natalia KIREEVA (PhD Student, defended in 2009) Thesis Title : Ensemble QSPR modeling of stabilities of metal : ligands complexes and melting points of ionic liquids E-mail : nvkireeva@mail.ru |
![]() | Dr. Cedric GAUDIN (PhD Student, defended in 2009) Thesis Title : Inductive transfer of knowledge : QSAR modeling of ADME properties E-mail : cedric.gaudin2@ulp.u-strasbg.fr |
![]() | Dr. Frank HOONAKKER (PhD Student, defended in 2008) Thesis Title: Condensed graph of reactions, applied to similarity search, classification and modelisation E-mail : fh@novalyst.com |
Thesis Title : Theoretical study of the Ing-Manske reaction : Application to the synthesis of the methyle pyrazepate E-mail : fleurent@quantix.u-strasbg.fr | |
![]() | Dr. Denis FOURCHES (PhD Student, defended in 2007) Thesis Title : Ensemble modelling in QSAR/QSPR : Development of new approaches and their applications for "in silico" design of metal binders, ADMETox properties and different biological activities of organic compounds |
![]() | Dr. Vladimir Chupakhin (Post-doc) Themes of research : Docking, Protein-Ligand interactions E-mail : chupvl@gmail.com |