Marjana Novic

National Institute of Chemistry, Slovenia 0000-0002-4243-2181

1985 Ph. D. in Chemistry, University of Ljubljana Thesis: Hierarchical Clustering and Recognition of Chemical Structures and Structural Fragments on the Basis of 13C NMR spectra 1986 University of Lausanne, Switzerland, Automated pattern recognition in 2-D NMR spectra. 1993 University of Tarragona, Spain, 1 month. Multivariate data analysis with application of neural networks. 1997 University of Cordoba, Spain, with professor M. Valcarcel, 3 months. The field of research: modelling in chemical kinetics research 2003 University of Tasmania, Australia, Modelling with non-linear techniques in gradient elution chromatography. Employment, awards: 1979- National Institute of Chemistry, Laboratory for Chemometrics. 1989 Boris Kidric Fund Award for a significant contribution to the field of Computerized Automated Analysis of Spectroscopic Data. 2008 Member of International Academy of Mathematical Chemistry Research interest: (i) development and applications of standard and modern chemometrics techniques (clustering, classification, modelling, neural networks, genetic algorithms); (ii) handling of large amounts of multivariate data: transformations, projections, reductions, selection of variables and optimization of the data-representation for different modelling approaches; (iii) modelling using linear or non-linear methods – case studies in QSAR (modelling of biological properties) and in analytical chemistry, determination of 3D molecular structures, calculation of descriptors and structure representations; validation of QSAR models; (iv) in silico approach in the regulation of chemicals; (v) simulation of the detector signals for various analytical techniques including ion chromatography.

Biography Updated on 1 April 2012

Scholarly Contributions [Data Provided by scopus]

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