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:
- 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.
- 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
- 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
- Varnek,
A.; Baskin, I. Chemoinformatics as a Theoretical Chemistry
Discipline. Mol. Inf., 2011,
Vol. 30, pp. 20-32
- 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
- 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
- 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
- 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
- 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
- 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
- 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