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List of selected recent 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., 2005, p 423-457. · Gilles Klopman, Hao Zhu, Matthew A. Fuller, Roustem D. Saiakhov, Searching for an Enhanced Prediction Tool for Mutagenicity, SAR and QSAR in Environmental Research, 2004, 15(4), 251-263. · Klopman, G., Chakravarti, S.K., Zhu, H., Ivanov, J.M., Saiakhov, R.D., ESP: A Method to Predict Toxicity and Pharmacological Properties of Chemicals using Multiple MCASE Databases, J. Chem. Inf. Comput. Sci.,2004, 44(2), 704-715. · Klopman, G., Chakravarti, S.K., Harris, N., Ivanov, J., Saiakhov, R.D.,. In-silico screening of high production volume chemicals for mutagenicity using the MCASE QSAR expert system. SAR QSAR Environ. Res., 2003, 14(2), 165-180. · Sedykh A, Saiakhov R, Klopman G. META V. A model of photodegradation for the prediction of photoproducts of chemicals under natural-like conditions CHEMOSPHERE 2001, 45(6-7) 971-981. · Klopman, G., Stefan, L., and Saiakhov, R. D. New approach to the evaluation of bioavailability of drugs Abstracts of Papers of the American Chemical Society 2000, 220,33-COMP. · Klopman, G., Saiakhov, R., and Rosenkranz, H. S. Multiple computer-automated structure evaluation study of aquatic toxicity II. Fathead minnow Environmental Toxicology and Chemistry 2000, 19,441-447. · Saiakhov, R. D., Stefan, L. R., and Klopman, G. Multiple computer-automated structure evaluation model of the plasma protein binding affinity of diverse drugs Perspectives in Drug Discovery and Design 2000, 19,133-155. · Klopman, G., Saiakhov, R., Rosenkranz, H. S., and Hermens, J. L. M. Multiple Computer-Automated Structure Evaluation program study of aquatic toxicity 1: Guppy Environmental Toxicology and Chemistry 1999, 18,2497-2505. · Sayakhov, R. D., Sedykh, A. E., GALKIN, V. I., and CHERKASOV, R. A. New opportunities for the application of the frontal steric effect model - IV. Optimization of the molecular structure Zhurnal Organicheskoi Khimii 1999, 35,691-695. · Saiakhov R.D., Sedych A.E., Galkin V.I., Cherkasov R.A. Basicity and Reactivity of Alpha-Aminophosphonates: Theoretical Investigation. Phosphorus, Sulfur and Silicon, 1999, V147, 363-363. · Saiakhov R.D., Magafurov A.R., Galkin V.I., Cherkasov R.A. Substituent effects in Alpha-Amino and hydroxyphosphonates addition to substituted arylisocyanates: theoretical Investigation. Phosphorus, Sulfur and Silicon, 1999, 147, 365-365. · R.D. Sayakhov , V.I. Galkin , R.A. Cherkasov , E.N. Tsvetkov. New applications of the frontal steric effect model. Steric aspects of the Williamson reaction mechanism in the series of chloromethylphosphine oxides. Russian J. General Chemistry, 1999, 69(7), 1097-1101. · Klopman G, Saiakhov R, Tu M.H, Pusca F., Rorije E. Computer-assisted evaluation of anaerobic biodegradation products. Pure and Applied Chem., 1998, 70(7), 1385-1394 · Dabkowski W., Tworowska I., Saiakhov R. Nucleoside 3’-methylphosphonofluoridates and Nucleoside 3’-methylfluoridophosphonothioates. New convenient Intermediates in Large Scale Synthesis of Dinucleoside-(3’,5’)-methylphosphonates. Tetrahedron Lett. 1995, 36(50)9223-4. · GALKIN, V. I., Sayakhov, R. D., and CHERKASOV, R. A. Steric effects: the problem of their quantitative assessment and manifestation in the reactivity of hetero-organic compounds -Russian Chemical Reviews 1991, 60,815-829. |
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