Team
Director
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Head of Laboratory Phone : +33 (0)3 68 85 15 60 e-mail : varnek@unistra.fr Master in ChemoInformatics |
Researchers
 | Dr. Dragos HORVATH Senior Scientist (DR2 CNRS) Phone : +33 (0)3 68 85 13 21 e-mail : dhorvath@unistra.fr |
 | Dr. Gilles MARCOU Assistant Professor Phone : +33 (0)3 68 85 13 04 e-mail : g.marcou@unistra.fr |
 | Dr. Olga KLIMCHUK Phone : E-mail : o.klimchuk@unistra.fr Curriculum Vitae : Publications : |
 | Dr. Fanny BONACHERA Research Engineer (IR2 CNRS) Phone : E-mail : f.bonachera@unistra.fr Curriculum Vitae : Publications : |
PhD students
 | Arkadii LIN Research project : Big Data analysis using Generative Topographic Mapping approach E-mail : arkadiyl18@gmail.com Curriculum Vitae : |
 | Timur GIMADIEV Research project : Predictive models for kinetic and thermodynamic parameters of chemical reactions E-mail : timur.gimadiev@gmail.com |
 | Marta GLAVATSKIKH Research project : Structure-property models based on local descriptors E-mail : mvglavatskikh@gmail.com Curriculum Vitae : |
 | Iuri CASCIUC Research project : Modélisation chemoinformatique de profils d’activité biologique E-mail : icasciuc@unistra.fr Curriculum Vitae : |
 | 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 Curriculum Vitae : |
Master students
 | Boris SATTAROV Research project : E-mail : Curriculum Vitae : |
 | Philippe GANTZER Research project : E-mail : Curriculum Vitae |
 | Yuliana ZABOLOTNA Research project : E-mail : Curriculum Vitae : |
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
 | Dr. Olena MOKSHYNA Research project : QSPR modeling of electrolytes for Li-batteries E-mail : Curriculum Vitae : |
 | Dr. Grace DELOUIS Research project : Transductive methods, Ionic Liquids. E-mail : gdelouis@unistra.fr Curriculum Vitae : |
 | Dr. Pavel SIDOROV Research project : Analysis of chemical space of antimalarial compounds E-mail : pavel.sidorov@unistra.fr Curriculum Vitae : |
 | Dr. Shilva KAYASTHA Research project : Chemical space visualization E-mail : Curriculum Vitae : |
 | Dr. Kyrylo KLIMENKO Research project : Computer-aided design of antiviral compounds E-mail : alhimikir@gmail.com |
 | Gleb SITNIKOVA Research project : Induction transfer methods, molecular fields kernels E-mail : jsg08sun@yandex.ru |
 | Dr. Héléna Alexandra GASPAR Thesis subject : Chemical space visualisation. E-mail : h.gaspar@unistra.fr or hagaspar@yahoo.fr Curriculum Vitae : LinkedIn |
 | Dr. Fiorella RUGGIU Thesis subject : Property-enriched fragment descriptors for adaptive QSAR. E-mail : ruggiu.fiorella@gmail.com |
 | Dr. Tetiana KHRISTOVA Thesis subject : Computer-aided design of novel antithrombotic agents. Curriculum Vitae : LinkedIn |
 | Dr. Christophe MULLER Thesis subject : Structure-Activity Relationships for metabolism and toxicity. Themes of research : QSAR, toxicity. Curriculum Vitae : LinkedIn |
 | Dr. Laurent HOFFER Thesis subject : Développement et validation du logiciel S4MPLE : application au docking moléculaire et à l’optimisation de fragments assistée par ordinateur dans le cadre du fragment-based drug design. Themes of research : Fragment-based drug design. Curriculum Vitae : LinkedIn |
 | Dr. Ioana OPRISIU Thesis subject : Modélisation QSPR de mélanges binaires non-additifs. Application au comportement azéotropique. E-mail : ioprisiu@gmail.com Themes of research : QSPR mixtures |
 | Evgeniy KONDRATOVICH Themes of research : Transductive learning |
 | Dr. Sebastien CONILLEAU E-mail : sconilleau@gmail.com Themes of research : Flexible docking |
 | Dr. Cedric GAUDIN E-mail : cedric.gaudin2@ulp.u-strasbg.fr Themes of research : QSAR/QSPR, ADME/Tox, pharmacokinetics |
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E-mail : fleurent@quantix.u-strasbg.fr Themes of research : Molecular Mechanics |
 | Dr. Denis FOURCHES Thesis subject : Ensemble Modeling in QSAR/QSPR : new approaches and applications to the in silico design of new metal complexant, ADME/Tox properties and various biological activities of organic compounds. |
 | Dr. Frank HOONAKKER E-mail : fh@novalyst.com Themes of research : Condensed Graph of Reaction |
 | Dr. Natalia KIREEVA E-mail : nvkireeva@mail.ru Themes of research : Metal Complexant, Generative Topographic Maps |
 | Dr. Vladimir Chupakhin E-mail : chupvl@gmail.com Themes of research : Docking, Protein-Ligand interactions |
| Dr. Aurélie DE LUCA Research project : Graphes condensés de réactions, gestion des réactions E-mail : aurelie.de-luca@unistra.fr Curriculum Vitae : LinkedIn |