Sorel Muresan

AstraZeneca, Mölndal, .

E-mail: trimite un mesaj.

Pagina web a instituţiei: http://www.astrazeneca.com

Nascut(a) in: 1967

Interese: cheminformatics, chemometrics, QSAR, data-mining, flavour research, natural products

Details:
Team Leader Cheminformatics
AstraZeneca R&D Mölndal
S-43183 Sweden

Publicații selectate:

* Bickerton, G.R.; Paolini, G.V.; Besnard, J.; Muresan S.; Hopkins, A.L, Quantifying the chemical beauty of drugs, Nature Chemistry, 4 (2), 2012.

* Sayle, R.; Xie, P.H.; Muresan, S, Improved Chemical Text Mining of Patents with Infinite Dictionaries and Automatic Spelling Correction, J. Chem. Inf. Model., 52 (1), 2012.

* Muresan, S.; Petrov, P.; Southan, C.; Kjellberg, M. J.; Kogej, T.; Tyrchan, C.; Varkonyi, P.; Xie, P. H., Making every SAR point count: the development of Chemistry Connect for the large-scale integration of structure and bioactivity data, Drug Discovery Today, 16, 2011.

* Southan, C.; Boppana, K.; Sarma J.A.R.P.; Muresan, S, Analysis of in vitro bioactivity data extracted from drug discovery literature and patents: Ranking 1654 human protein targets by assayed compounds and molecular scaffolds, J. Cheminformatics, 3:14, 2011.

* Yang, Y; Chen, H.; Nilsson, I.; Muresan, S.; Engkvist, O, Investigation of the Relationship between Topology and Selectivity for Druglike Molecules, J. Med. Chem., 53(21), 2010.

* Tyrchan, C.; Blomberg, N.; Engkvist, O.; Kogej, T.; Muresan, S., Physicochemical property profiles of marketed drugs, clinical candidates and bioactive compounds, Bioorganic & Medicinal Chemistry Letters, 19(24), 2009.

* Christopher Southan, Peter Varkonyi and Sorel Muresan, Quantitative assessment of the expanding complementarity between public and commercial databases of bioactive compounds, J. Cheminformatics, 1:10, 2009.

* Rosen, J.; Gottfries, J.; Muresan, S.; Backlund, A.; Oprea, T. I. , Novel Chemical Space Exploration via Natural Products, J. Med. Chem., 52(7), 2009.

* Rosén, J.; Lövgren, A.; Kogej, T.; Muresan, S.; Gottfries, J.; Backlund, A. , ChemGPS-NPWeb: chemical space navigation online, Journal of Computer-Aided Molecular Design, 23(4), 2009.

* Muresan, S.; Wilkinson, C.; Ponne, C. , Changes in flavour profiles of mushrooms during cooking, Czech Journal of Food Sciences, 18, 2000.

* Helsper, Johannes Petrus Franciscus Gerardus; Bucking, Mark; Muresan, Sorel; Blaas, Jan; Wietsma, Willem Anne, Identification of the Volatile Component(s) Causing the Characteristic Foxy Odor in Various Cultivars of Fritillaria imperialis L. (Liliaceae), Journal of Agricultural and Food Chemistry, 54, 2006.

* Muresan, S.; Eillebrecht, M.; de Rijk, T.C.; de Jonge, H.G.; Leguijt, T.; Nijhuis, H.H., Aroma profile development of intermediate chocolate products I. Volatile constituents of block-milk, Food Chemistry, 68, 2000.

* Muresan, S.; van der Bent, A.; de Wolf, F. A., Interaction of beta-lactoglobulin with small hydrophobic ligands as monitored by fluorometry and equilibrium dialysis: Nonlinear quenching effects related to protein-protein association, J. Agric. Food Chem., 49, 2001.

* van der Ven, C.; Muresan, S.; Gruppen, H.; de Bont, D.B.A.; Merck, K.B.; Voragen, A.G.J., FTIR spectra of whey and casein hydrolysates in relation to their functional properties, J. Agric. Food Chem., 50, 2002.

* Muresan, Sorel; Sadowski, Jens, "In-House likeness": Comparison of large compound collections using artificial neural networks, J. Chem. Inf. Model., 45, 2005.

* Kogej, Thierry; Muresan, Sorel, Database mining for pKa prediction, Current Drug Discovery Technologies, 2, 2005.

* Kogej, T.; Engkvist, O.; Blomberg, N.; Muresan, S., Multifingerprint Based Similarity Searches for Targeted Class Compound Selection, J. Chem. Inf. Model., 46, 2006.

* Larsson, J.; Gottfries, J.; Muresan, S.; Backlund, A., ChemGPS-NP: Tuned for Navigation in Biologically Relevant Chemical Space, J. Nat. Prod., 70, 2007.

* Southan, C.; Varkonyi, P.; Muresan, S, Complementarity Between Public and Commercial Databases: New Opportunities in Medicinal Chemistry Informatics, Current Topics in Medicinal Chemistry, 7, 2007.

* Quinn, Ronald J.; Carroll, Anthony R.; Pham, Ngoc B.; Baron, Paul, Palframan, Meredith E.; Suraweera, Lekha; Pierens, Gregory K.; Muresan, Sorel, Developing a Drug-like Natural Product Library, J. Nat. Prod., 71, 2008.

* Wester, Michael J.; Pollock, Sara N.; Coutsias, Evangelos A.; Allu, Tharun Kumar; Muresan, Sorel; Oprea, Tudor I., Scaffold Topologies. 2. Analysis of Chemical Databases, J. Chem. Inf. Model., 48, 2008.