Curriculum Vitae

Name: Igor I. Baskin

Personal data: Date and Place of Birth: October 31, 1961, USSR, Gomel

Education and grades:

• Graduated from Moscow State University, Chemistry Department, in 1984
• Graduated from Moscow State University, Chemistry Department, post-graduate course, in 1987
• Ph.D. in organic chemistry, Moscow State University, Chemistry Department, in 1990
• Member of the International Academy of Mathematical Chemistry, in 2009
• Habilitation in mathematical and quantum chemistry, Moscow State University, Chemistry Department, in 2010

Applications and positions:

• 2013-until now – leading research associate, Faculty of Physics, Moscow State University
• 2001-2013 – senior and leading research associate, Department of Chemistry, Moscow State University
• 2005-2012 – visiting professor and scientist, Chemistry Faculty, Louis Pasteur (Strasbourg) University
• 1994-2001 - senior researcher associate, Institute of Organic Chemistry, Russian Academy of Sciences
• 1988-1994 – research engineer and research associate, Department of Photochemistry, Institute of Chemical Physics, Russian Academy of Sciences

Publications: 139 research articles and book chapters

Citations: 1008 (Web of Science), 1505 (Google Scholar); H-index: 19 (Web of Science), 22 (Google Scholar)

Scientific interests:

• Chemoinformatics and mathematical chemistry
• Machine learning in chemistry, biochemistry and material science
• Relationships between structures of organic compounds and their properties (QSAR/QSPR-studies)
• Molecular modelling of proteins (receptors and enzymes) and their interection with ligands
• Molecular modelling of supramolecular systems

Selected publications:

1.  Baskin, I.I.; Zhokhova, N.I. The continuous molecular fields approach to building 3D-QSAR models. J. Comput. Aided Mol. Des., 2013, Vol. 27, No. 5, pp. 427-442.
2. Varnek, A.; Baskin, I. Machine Learning Methods for Property Prediction in Chemoinformatics: Quo Vadis? . J. Chem. Inf. Model. 2012, Vol. 52, No. 6, pp. 1413-1437
3. Kireeva, N.; Baskin, I.I.; Gaspar, H.A.;  Horvath, D.; Marcou, G.; Varnek, A. Generative Topographic Mapping (GTM): Universal Tool for Data Visualization, Structure-Activity Modeling and Dataset Comparison. Mol. Inf., 2012,  Vol. 31, pp. 301-312
4. Varnek, A.; Baskin, I. Chemoinformatics as a Theoretical Chemistry Discipline. Mol. Inf., 2011, Vol. 30, pp. 20-32
5. Baskin, I.; Kireeva, N.; Varnek, A. The One-Class Classification Approach to Data Description and to Models Applicability Domain. Mol. Inf., 2010, Vol. 29, Iss. 8-9, pp. 581-587
6. Varnek, A.; Gaudin, C.; Marcou, G.; Baskin, I.. Pandey, A.K.; Tetko I.V. Inductive Transfer of Knowledge: Application of Multi-Task Learning and Feature Net Approaches to Model Tissue-Air Partition Coefficients. J. Chem. Inf. Model., 2009, Vol. 49, No. 1, pp. 133-144
7. Baskin I.I., Varnek A. Chapter 1. Fragment Descriptors in SAR/QSAR/QSPR Studies, Molecular Similarity Analysis and in Virtual Screening. // In: Chemoinformatics Approaches to Virtual Screening / Varnek A., Tropsha A., Ed. – RCS Publishing. - 2008. – P. 1-43
8. Baskin I.I., Palyulin V.A., Zefirov N.S. Chapter 8. Neural Networks in Building QSAR Models // In: Artificial Neural Networks: Methods and Protocols / Livingstone D.S., Ed. – Humana Press, a part of Springer Science + Business Media, 2008. – P. 139-160
9. Varnek, A.; Kireeva, N.; Tetko, I.V.; Baskin, I.I.; Solov’ev, V.P. Exhaustive QSPR Studies of Large Diverse Set of Ionic Liquids: How Accurately Can We Predict Melting Points? J. Chem. Inf. Model., 2007, V. 47, No. 3, pp. 1111-1122
10. Ivanov, A.A.; Baskin, I.I.; Palyulin, V.A.; Piccagli, L.; Baraldi, P.G.; Zefirov N.S. Molecular modeling and molecular dynamics simulation of the human A2B adenosine receptor. The study of the possible binding modes of the A2B receptor antagonists J. Med. Chem., 2005, Vol. 48, No. 22, p. 6813-6820
11. Baskin, I.I.; Tikhonova, I.G.; Palyulin, V.A.; Zefirov, N.S. Selectivity Fields. Comparative Molecular Field Analysis (CoMFA) of the Glycine/NMDA and AMPA Receptors. J. Med. Chem., 2003, Vol. 46, No. 19, pp. 4063-4069