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
 | Dr. Alexey ORLOV Research project : In silico design of new solvents for gas absorption E-mail : aorlov@unistra.fr |
 | Dr. Arkadii LIN Research project : Big Data analysis using Generative Topographic Mapping approach E-mail : arkadiyl18@gmail.com |
PhD students
 | Yuliana ZABOLOTNA Research project : Chemography-based exploration of ultra-large chemical space for medicinal chemistry E-mail : yzabolotna@unistra.fr
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 | William BORT Research project : De novo design using Deep Learning E-mail : william.bort@etu.unistra.fr |
 | Tagir AKHMETSHIN Research project : Computational forward synthesis planning E-mail : tagir.akhmetshin@etu.unistra.fr |
 | Shamkhal BAYBEKOV Research project : Automated generation of Chemical Structures possessing desirable properties profile using Artificial Intelligence approach E-mail : shamkhal.baybekov@etu.unistra.fr |
 | Maxim SHEVELEV Research project : Molecular Modeling and Virtual Screening for Rational Design of Tubulin-Protein Interaction Modulators E-mail : shevelev@unistra.fr |
 | Dmitry ZANKOV Research project : Multiple instance learning in QSAR E-mail : dmitry.zankov@etu.unistra.fr |
 | Helena PEREZ-PENA Research project : Computer-aided molecular design and simulation of modulators of Tubulin-Tubulin and MAPs-Tubulin interactions E-mail : helena.perez-pena@etu.unistra.fr |
Master students
Master 2 Students
Regina PIKALOVA
Research project : Cartography of chemical space of DNA Encoded Libraries
E-mail : regina.pikalyova@etu.unistra.fr
Karina PIKALOVA
Research project : Chemical space analysis with GTM
E-mail : karina.pikalyova@etu.unistra.fr
Andrii POTURAI
Research project : Computer-aided design of selective chemical probes for angiotensin-converting enzyme 2
E-mail : andrii.poturai@etu.unistra.fr
Master 1 Students
Polina OLENEVA
Research project : Comparison of two large databases using Generative Topographic Mapping
E-mail : oleneva.polina@list.ru
Short internships
| Nobuyuki MIUCHI | University of Tokyo, Japon | 2018-2019 |
| Chisa HIGUCHI | Université Kuyshu à Fukuoka, Japon | 2018-2019 |
| Sebastian BJÖRNSSON | University of Iceland, Reykjavik, Iceland | 2018-2019 |
| Shojiro SHIBAYAMA | University of Tokyo, Japon | 2018-2019 |
| Alexey ORLOV | Lomonosov Moscow State University, Russia | 2017 |
| Birgit VIIRA | University of Tartu, Estonia | 2014-2015 |
| Ramil NUGMANOV | University of Kazan, Russia | 2015 |
| Oleg VARLAMOV | University of Kazan, Russia | 2015 |
| Vasyl HURMACH | University of Kyiv, Ukraine | 2014 |
Visiting Scientists
 | 2019 Prof. Christoph SOTRIFFER From : Université de Wuerzburg, Germany
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 | 2017 Prof. Hanoch SENDEROWITZ From : Department of Chemistry, Bar-Ilan University, Israël |
 | 2017-2018 Dr. Elena MOKSHINA From : A.V.Bogatsky Physico-Chemical Institute, Odessa, Ukraine |
 | 2017-2020 Dr. Črtomir PODLIPNIK From : University of Ljubljana, Slovenia |
 | 2016 Dr. Alex NYPORKO From : Taras Shevchenko National University of Kyiv, Ukraine |
 | 2016 Dr. Joao AIRES DE SOUSA From : New University of Lisbon, Portugal |
 | 2015 Dr. Thierry Langer From : University of Vienna, Austria |
 | 2013, 2015 Pavel POLISHCHUK From : A.V.Bogatsky Physico-Chemical Institute, Odessa, Ukraine |
 | 2013 Prof Victor KUZMIN From : A.V.Bogatsky Physico-Chemical Institute, Odessa, Ukraine |
 | 2012 Prof. Hiroshi CHUMAN From : University of Fukuoka, Japan |
 | 2010 Prof. Kimito Funatsu From : University of Tokyo, Japan |
 | 2012-2019 Dr. Timur MADZHIDOV From : A.M. Butlerov Institute of Chemistry, Kazan Federal University, Russia
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 | 2009 Prof. Gisbert SCHNEIDER From : University of Frankfurt, Germany |
 | 2009 Prof. Alexander TROPSHA From : School of Pharmacy, University of North Carolina at Chapel |
 | 2007 Dr. Christoph Steinbeck From : University of Cologne, Germany |
 | 2007 Prof. Jürgen BAJORATH From : Chair of Life Science Informatics, Bonn-Aachen International, Center for Information Technology, University of Bonn, Germany |
 | 2005 Prof. Igor TETKO From : Helmholtz Zentrüm Munchen, Germany |
 | 2005 Prof. Johann GASTEIGER From : University of Erlangen-Nürnberg , Germany |
 | 2005-2020 Dr. Igor BASKIN From : Moscow State University, Russia
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 | 2000-2019 Dr. Vitaly SOLOVYEV From : Institute of Physical Chemistry, Russian Academy of Sciences (Moscou), Russia |
Former PhD students
 | Dr. Iuri CASCIUC Research project : Cartographie chimique et modélisation de systèmes complexes E-mail : yurii.kashuk@gmail.com THESIS : http://www.theses.fr/en/s186543 |
 | Dr. Filippo LUNGHINI Research project : Analyse exhaustive et modèles chémoinformatiques prédictifs des données physicochimiques et (éco)toxicologiques concernées par REACH. THESIS : http://www.theses.fr/en/s186783 |
 | Dr. Timur GIMADIEV Research project : Predictive models for kinetic and thermodynamic parameters of chemical reactions E-mail : timur.gimadiev@gmail.com THESIS : http://www.theses.fr/en/2018STRAF007
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 | Dr. Marta GLAVATSKIKH Research project : Modeling and visualization of complex chemical data using local descriptors E-mail : mvglavatskikh@gmail.com THESIS : http://www.theses.fr/en/2018STRAF008
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 | Dr. Grace DELOUIS Research project : Modélisation QSPR de solvants d’intérêt technologique : les liquides ioniques et les électrolytes pour batteries Li-ion. THESIS : http://www.theses.fr/en/2017STRAF035
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 | Dr. Pavel SIDOROV Research project : Analysis of the chemical space of antimalarial compounds by generative topographie mapping E-mail : pavel.sidorov@icredd.hokudai.ac.jp THESIS :http://www.theses.fr/en/2017STRAF050
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 | Dr. Shilva KAYASTHA Research project : New methods of multiscale chemical space analysis : visualization of structure-activity relationships and structural pattern extraction THESIS : http://www.theses.fr/en/2017STRAF042
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 | Dr. Kyrylo KLIMENKO Research project : Computer-aided design of antiviral compounds E-mail : alhimikir@gmail.com THESIS : http://www.theses.fr/en/2017STRAF008
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 | Dr. Héléna Alexandra GASPAR Research project : Cartography of chemical space. E-mail : hagaspar@yahoo.fr THESIS : http://www.theses.fr/en/2015STRAF030
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| Dr. Aurélie DE LUCA Research project : Graphes condensés de réactions, gestion des réactions THESIS : http://www.theses.fr/en/2015STRAF027 |
 | Gleb SITNIKOVA Research project : Induction transfer methods, molecular fields kernels E-mail : jsg08sun@yandex.ru |
 | Dr. Fiorella RUGGIU Research project : Property-enriched fragment descriptors for adaptive QSAR. E-mail : ruggiu.fiorella@gmail.com THESIS : http://www.theses.fr/en/2014STRAF037 |
 | Dr. Tetiana KHRISTOVA Research project : Computer-aided design of novel antithrombotic agents. THESIS : http://www.theses.fr/en/2013STRAF042
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 | Dr. Christophe MULLER Research project : Structure-Activity Relationships for metabolism and toxicity. THESIS : http://www.theses.fr/en/2013STRAF004
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 | Dr. Laurent HOFFER Research project : 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. THESIS : http://www.theses.fr/en/2013STRAF020
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 | Dr. Ioana OPRISIU Research project : Modélisation QSPR de mélanges binaires non-additifs. Application au comportement azéotropique. E-mail : ioprisiu@gmail.com THESIS : http://www.theses.fr/en/2012STRAF059
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 | Evgeniy KONDRATOVICH Research project : Transductive Support Vector Machines : Promising Approach to Model Small and Unbalanced Datasets |
 | Dr. Cedric GAUDIN Research project : L’ approche par transfert inductif des connaissances : application à la modélisation QSAR des propriétés pharmacocinétiques THESIS : http://www.theses.fr/en/2009STRA6039 |
 | Dr. Natalia KIREEVA Research project : Ensemble QSPR modeling of stabilities of metal : ligands complexes and melting points of ionic liquids THESIS : http://www.theses.fr/en/2009STRA6008 |
 | Dr. Frank HOONAKKER Research project : Graphes condensés de réactions, applications à la recherche par similarité, la classification et la modélisation E-mail : fh@novalyst.com THESIS : http://www.theses.fr/en/2008STR13209 |
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Research project : Étude théorique du mécanisme de la réaction d’Ing-Manske : Application à la synthèse stéréosélective du pyrazépate de méthyle THESIS : http://www.theses.fr/en/2007STR13188 |
 | Dr. Denis FOURCHES Thesis subject : Modeles multiples en QSAR/QSPR : developpement de nouvelles approches et leurs applications au desing in silico de nouveaux extractants de métaux, aux propriétés ADME/Tox ainsi qu’à différentes activités biologiques de molécules organiques. THESIS : www.theses.fr/en/2007STR13119 |