Chemoinformatics Research
Publications Highlights

- He has been included in the most productive authors in the field of Chemoinformatics (Willett, P. (2008) A bibliometric analysis of the literature of chemoinformatics. Aslib Proceedings, 60 (1), pp. 4-17).

- One of the pioneers in the field of Nanosafety (Prof. D.E Winkler) highlighted his recently developed predictive models and web services as one of the few tools regulators may use for the risk assessment of NMs (Toxicol Appl Pharmacol. 2016;299:96-100).

- His Article: Melagraki, G., Afantitis*, A. “Enalos KNIME nodes: Exploring corrosion inhibition of steel in acidic medium” (2013) Chemometrics and Intelligent Laboratory Systems, 123, pp. 9-14. Has been included in the list as one of the 5 most highly cited papers published in Chemometrics and Intelligent Laboratory Systems (during 2014, 2015 and up until June 2016)

- His article:  Afantitis, A.*, Melagraki, G., Koutentis, P.A., Sarimveis, H., Kollias, G. Ligand - Based virtual screening procedure for the prediction and the identification of novel β-amyloid aggregation inhibitors using Kohonen maps and Counterpropagation Artificial Neural Networks (2011) European Journal of Medicinal Chemistry, 46 (2), pp. 497-508 has been highlighted as recent success story in Machine-learning approaches in drug discovery: methods and applications, 2015, 20, 318-331.

- His article: Hardy, B., Douglas, N., Helma, C., Rautenberg, M., Jeliazkova, N., Jeliazkov, V., Nikolova, I., Benigni, R., Tcheremenskaia, O., Kramer, S., Girschick, T., Buchwald, F., Wicker, J., Karwath, A., Gütlein, M., Maunz, A., Sarimveis, H., Melagraki, G., Afantitis, A., Sopasakis, P., Gallagher, D., Poroikov, V., Filimonov, D., Zakharov, A., Lagunin, A., Gloriozova, T., Novikov, S., Skvortsova, N., Druzhilovsky, D., Chawla, S., Ghosh, I., Ray, S., Patel, H., Escher, S. Collaborative development of predictive toxicology applications (2010) Journal of Cheminformatics, 2 (7), art. no. 7, has been highlighted in the top hottest articles of the journal.

- His article: Zhang, L., Sedykh, A., Tripathi, A., Zhu, H., Afantitis, A., Mouchlis, V.D., Melagraki, G., Rusyn, I., Tropsha, A. Identification of putative estrogen receptor-mediated endocrine disrupting chemicals using QSAR- and structure-based virtual screening approaches (2013) Toxicology and Applied Pharmacology, 272 (1), pp. 67-76 has been included in the Top25 Hottest Articles for July-September 2013.

- His article: Melagraki, G., Afantitis, A., Igglessi-Markopoulou, O., Detsi, A., Koufaki, M., Kontogiorgis, C., Hadjipavlou-Litina, D.J. Synthesis and evaluation of the antioxidant and anti-inflammatory activity of novel coumarin-3-aminoamides and their alpha-lipoic acid adducts (2009) European Journal of Medicinal Chemistry, 44 (7), pp. 3020-3026 has been highlighted to the Top 25 Hottest Articles of the Journal for April -June 2009.

- His article: Melagraki, G., Afantitis, A., Sarimveis, H., Koutentis, P.A., Markopoulos, J., Igglessi-Markopoulou, O. Identification of a series of novel derivatives as potent HCV inhibitors by a ligand-based virtual screening optimized procedure (2007) Bioorganic and Medicinal Chemistry, 15 (23), pp. 7237-7247 has been highlighted twice to the Top25 Hottest Articles for October - December 2008 and October - December 2007.

- His article: Melagraki, G., Afantitis, A., Sarimveis, H., Igglessi-Markopoulou, O., Supuran, C.T. QSAR study on para-substituted aromatic sulfonamides as carbonic anhydrase II inhibitors using topological information indices (2006) Bioorganic and Medicinal Chemistry, 14 (4), pp. 1108-1114 has received the Most Cited Paper Award 2006-2009.

- His article: Afantitis, A., Melagraki, G., Sarimveis, H., Koutentis, P.A., Markopoulos, J., Igglessi-Markopoulou, O. Investigation of substituent effect of 1-(3,3-diphenylpropyl)-piperidinyl phenylacetamides on CCR5 binding affinity using QSAR and virtual screening techniques (2006) Journal of Computer-Aided Molecular Design, 20 (2), pp. 83-95 has been highlighted as a recent success story. (Drug Discovery Today: Technologies, 3(4), 2006, 405-411)


 



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