| Synthesis and evaluation of the antioxidant and anti-inflammatory activity of novel coumarin-3-aminoamides and their alpha-lipoic acid adducts G Melagraki, A Afantitis, O Igglessi-Markopoulou, A Detsi, M Koufaki, ... European journal of medicinal chemistry 44 (7), 3020-3026, 2009 | 359 | 2009 |
| Advances in de novo drug design: from conventional to machine learning methods VD Mouchlis, A Afantitis, A Serra, M Fratello, AG Papadiamantis, V Aidinis, ... International journal of molecular sciences 22 (4), 1676, 2021 | 213 | 2021 |
| Nanotechnology and artificial intelligence to enable sustainable and precision agriculture P Zhang, Z Guo, S Ullah, G Melagraki, A Afantitis, I Lynch Nature Plants 7 (7), 864-876, 2021 | 208 | 2021 |
| Collaborative development of predictive toxicology applications B Hardy, N Douglas, C Helma, M Rautenberg, N Jeliazkova, V Jeliazkov, ... Journal of cheminformatics 2, 1-29, 2010 | 131 | 2010 |
| Design and Synthesis of Novel Quinolinone-3-aminoamides and Their a-Lipoic Acid Adducts as Antioxidant and Antiiflammatory Agents A Detsi, D Bouloumbasi, KC Prousis, M Koufaki, G Athanasellis, ... Journal of Medicinal Chemistry 50 (10), 2450, 2007 | 129 | 2007 |
| A novel QSAR model for predicting induction of apoptosis by 4-aryl-4H-chromenes A Afantitis, G Melagraki, H Sarimveis, PA Koutentis, J Markopoulos, ... Bioorganic & medicinal chemistry 14 (19), 6686-6694, 2006 | 117 | 2006 |
| Ligand-based virtual screening procedure for the prediction and the identification of novel β-amyloid aggregation inhibitors using Kohonen maps and Counterpropagation … A Afantitis, G Melagraki, PA Koutentis, H Sarimveis, G Kollias European Journal of Medicinal Chemistry 46 (2), 497-508, 2011 | 112 | 2011 |
| Prediction of high weight polymers glass transition temperature using RBF neural networks A Afantitis, G Melagraki, K Makridima, A Alexandridis, H Sarimveis, ... Journal of molecular structure: THEOCHEM 716 (1-3), 193-198, 2005 | 112 | 2005 |
| QSAR study on para-substituted aromatic sulfonamides as carbonic anhydrase II inhibitors using topological information indices G Melagraki, A Afantitis, H Sarimveis, O Igglessi-Markopoulou, ... Bioorganic & Medicinal Chemistry 14 (4), 1108-1114, 2006 | 106 | 2006 |
| Identification of putative estrogen receptor-mediated endocrine disrupting chemicals using QSAR-and structure-based virtual screening approaches L Zhang, A Sedykh, A Tripathi, H Zhu, A Afantitis, VD Mouchlis, ... Toxicology and applied pharmacology 272 (1), 67-76, 2013 | 101 | 2013 |
| NanoSolveIT Project: Driving nanoinformatics research to develop innovative and integrated tools for in silico nanosafety assessment A Afantitis, G Melagraki, P Isigonis, A Tsoumanis, DD Varsou, ... Computational and Structural Biotechnology Journal 18, 583-602, 2020 | 99 | 2020 |
| Prediction of intrinsic viscosity in polymer–solvent combinations using a QSPR model A Afantitis, G Melagraki, H Sarimveis, PA Koutentis, J Markopoulos, ... Polymer 47 (9), 3240-3248, 2006 | 90 | 2006 |
| Enalos KNIME nodes: Exploring corrosion inhibition of steel in acidic medium G Melagraki, A Afantitis Chemometrics and Intelligent Laboratory Systems 123, 9-14, 2013 | 88 | 2013 |
| Enalos InSilicoNano platform: an online decision support tool for the design and virtual screening of nanoparticles G Melagraki, A Afantitis RSC advances 4 (92), 50713-50725, 2014 | 75 | 2014 |
| Predictive QSAR workflow for the in silico identification and screening of novel HDAC inhibitors G Melagraki, A Afantitis, H Sarimveis, PA Koutentis, G Kollias, ... Molecular diversity 13, 301-311, 2009 | 71 | 2009 |
| In Silico Exploration for Identifying Structure–Activity Relationship of MEK Inhibition and Oral Bioavailability for Isothiazole Derivatives G Melagraki, A Afantitis, H Sarimveis, O Igglessi‐Markopoulou, ... Chemical biology & drug design 76 (5), 397-406, 2010 | 66 | 2010 |
| Surface functionalization of graphene‐based materials: Biological behavior, toxicology, and safe‐by‐design aspects Z Guo, S Chakraborty, FA Monikh, DD Varsou, AJ Chetwynd, A Afantitis, ... Advanced Biology 5 (9), 2100637, 2021 | 65 | 2021 |
| A novel QSAR model for predicting the inhibition of CXCR3 receptor by 4-N-aryl-[1, 4] diazepane ureas A Afantitis, G Melagraki, H Sarimveis, O Igglessi-Markopoulou, G Kollias European Journal of Medicinal Chemistry 44 (2), 877-884, 2009 | 63 | 2009 |
| A novel simple QSAR model for the prediction of anti-HIV activity using multiple linear regression analysis A Afantitis, G Melagraki, H Sarimveis, PA Koutentis, J Markopoulos, ... Molecular Diversity 10, 405-414, 2006 | 62 | 2006 |
| Molecular modeling on pyrimidine-urea inhibitors of TNF-α production: an integrated approach using a combination of molecular docking, classification techniques, and 3D-QSAR CoMSIA VD Mouchlis, G Melagraki, T Mavromoustakos, G Kollias, A Afantitis Journal of chemical information and modeling 52 (3), 711-723, 2012 | 60 | 2012 |
