Chemoinformatics Research

1. G. Melagraki, A. Afantitis, A. A. Toropov, H. Sarimveis and O. Igglessi – Markopoulou. Chapter 4. “QSAR models constructed by optimal descriptors and by multiple regression analysis for the prediction of carbonic anhydrase II Inhibitory activity of substituted aromatic sulfonamides” QSPR-QSAR Studies on Desired Properties for Drug Design, 2010: 97-118 ISBN: 978-81-308-0404-0 Editor: Eduardo A. Castro.

2. G. Melagraki, A. Afantitis, O. Igglessi-Markopoulou “In Silico Prediction of Corrosion Inhibition of Organic Compounds, Book in memory of  Professor of National Technical University of Athens N.Spyrellis, p. 33, 2009.

3. G. Melagraki, A. Afantitis, K. Makridima H. Sarimveis and O. Igglesi-Markopoulou “Computational Chemistry: Quantitative Structure-Activity Relationships” Book in memory of Honorary Professor of National Technical University of Athens and member of Academy of Athens G. Parisakis, 2005.

4. Γ. Μελαγράκη, Α. Αφαντίτης, Χ. Σαρίμβεης, Ι. Μαρκόπουλος, Ο. Ιγγλέση – Μαρκοπούλου, Χημειοπληροφορική: Ανάπτυξη Υπολογιστικών Τεχνικών για το Σχεδιασμό Νέων Μορίων με Βελτιωμένα Χαρακτηριστικά, Χημικά Χρονικά: Γενική Έκδοση 2010, 72(4), 20-22.

5. G. Melagraki, A. Afantitis and O. Igglessi-Markopoulou, Prediction of autoignition temperature for diverse organic compounds using in silico methods and molecular descriptors, NCH-2010-D4, NAUSIVIOS CHORA 2010.

6. Eleni Vrontaki, Thomas Mavromoustakos, Georgia Melagraki, Antreas Afantitis*, Quantitative Nanostructure-Activity Relationship models for the Risk Assessment of NanoMaterials, Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment
IGI Global, Editor: Prof. Kunal Roy.

7. Georgios Leonis, Georgia Melagraki, Antreas Afantitis*, “Open Source Chemoinformatics Software including KNIME Analytics Platform” Handbook of Computational Chemistry Editors: Leszczynski, Jerzy (Ed.) Springer 2017 doi:10.1007/978-94-007-6169-8_57-1.


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