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Julian Ivanov, Ph.D. (Theoretical Chemistry) Position: Head of Computational Chemistry Division Phone: (216) 831-3740 Fax: (216) 831-3742 E-mails: ivanov 'at' multicase.com Projects:
Areas of Expertise:QSAR, modeling studies on biological activity, toxicity and other properties of the organic compounds. Chemical reactivity assessment based on the stereoelectronic molecular structure; Strong background in computer programming (MS C++ (MFC), FORTRAN, Pascal (Delphi)) and algorithm development including Molecular Symmetry (topological, stereo and 3D), Canonization of the chemical structures, sub fragment search, metabolic transformations, fast 2D-3D converter etc.; 10+ years experience in developing scientific software in the commercial sector (toxicology predictions, structure-base drug design). Selected Publications:Gilles Klopman, Julian Ivanov, Roustem Saiakhov and Suman Chakravarti. MC4PC – An Artificial Intelligence Approach to the Discovery of Structure Toxic Activity Relationships (STAR). Predictive Toxicology Book, Christoph Helma, Ed., CRC Press, Boca Raton, FL 33487, USA, 423-457, 2005. Klopman, G.; Chakravarti, S.K.; Zhu, H.; Ivanov, J.; Saiakhov, S.D.; ESP: A Method To Predict Toxicity and Pharmacological Properties of Chemicals Using Multiple MCASE Databases. J. Chem. Inf. Comput. Sci., 44, 704-715, 2004. Ivanov, J. Molecular Symmetry Perception, J. Chem. Inf. Comput. Sci., 44, 596-600, 2004. |
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