| QSARINS: A new software for the development, analysis, and validation of QSAR MLR models P Gramatica, N Chirico, E Papa, S Cassani, S Kovarich Journal of Computational Chemistry 34 (24), 2121-2132, 2013 | 714 | 2013 |
| Critical Assessment of QSAR Models of Environmental Toxicity against Tetrahymena pyriformis: Focusing on Applicability Domain and Overfitting by Variable … IV Tetko, I Sushko, AK Pandey, H Zhu, A Tropsha, E Papa, T Oberg, ... Journal of chemical information and modeling 48 (9), 1733-1746, 2008 | 460 | 2008 |
| Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformis H Zhu, A Tropsha, D Fourches, A Varnek, E Papa, P Gramatica, T Oberg, ... Journal of chemical information and modeling 48 (4), 766-784, 2008 | 343 | 2008 |
| Validated QSAR prediction of OH tropospheric degradation of VOCs: splitting into training− test sets and consensus modeling P Gramatica, P Pilutti, E Papa Journal of chemical information and computer sciences 44 (5), 1794-1802, 2004 | 302 | 2004 |
| Statistical external validation and consensus modeling: a QSPR case study for Koc prediction P Gramatica, E Giani, E Papa Journal of Molecular Graphics and Modelling 25 (6), 755-766, 2007 | 289 | 2007 |
| QSAR modeling is not “push a button and find a correlation”: a case study of toxicity of (benzo‐) triazoles on algae P Gramatica, S Cassani, PP Roy, S Kovarich, CW Yap, E Papa Molecular Informatics 31 (11‐12), 817-835, 2012 | 227 | 2012 |
| Statistically Validated QSARs, Based on Theoretical Descriptors, for Modeling Aquatic Toxicity of Organic Chemicals in Pimephales promelas (Fathead Minnow) E Papa, F Villa, P Gramatica Journal of chemical information and modeling 45 (5), 1256-1266, 2005 | 220 | 2005 |
| QSAR prediction of estrogen activity for a large set of diverse chemicals under the guidance of OECD principles H Liu, E Papa, P Gramatica Chemical research in toxicology 19 (11), 1540-1548, 2006 | 165 | 2006 |
| CoMPARA: collaborative modeling project for androgen receptor activity K Mansouri, N Kleinstreuer, AM Abdelaziz, D Alberga, VM Alves, ... Environmental Health Perspectives 128 (2), 027002, 2020 | 159 | 2020 |
| QSAR modeling of bioconcentration factor by theoretical molecular descriptors P Gramatica, E Papa QSAR & Combinatorial Science 22 (3), 374-385, 2003 | 151 | 2003 |
| Antiproliferative Pt (IV) complexes: synthesis, biological activity, and quantitative structure–activity relationship modeling P Gramatica, E Papa, M Luini, E Monti, MB Gariboldi, M Ravera, ... JBIC Journal of Biological Inorganic Chemistry 15, 1157-1169, 2010 | 148 | 2010 |
| Daphnia and fish toxicity of (benzo) triazoles: Validated QSAR models, and interspecies quantitative activity–activity modelling S Cassani, S Kovarich, E Papa, PP Roy, L van der Wal, P Gramatica Journal of hazardous materials 258, 50-60, 2013 | 140 | 2013 |
| Linear QSAR regression models for the prediction of bioconcentration factors by physicochemical properties and structural theoretical molecular descriptors E Papa, JC Dearden, P Gramatica Chemosphere 67 (2), 351-358, 2007 | 117 | 2007 |
| Development, validation and inspection of the applicability domain of QSPR models for physicochemical properties of polybrominated diphenyl ethers E Papa, S Kovarich, P Gramatica QSAR & Combinatorial Science 28 (8), 790-796, 2009 | 114 | 2009 |
| Metabolic biotransformation half-lives in fish: QSAR modeling and consensus analysis E Papa, L van der Wal, JA Arnot, P Gramatica Science of the total environment 470, 1040-1046, 2014 | 96 | 2014 |
| Comparison between 5, 10, 15, 20-tetraaryl-and 5, 15-diarylporphyrins as photosensitizers: synthesis, photodynamic activity, and quantitative structure− activity relationship … S Banfi, E Caruso, L Buccafurni, R Murano, E Monti, M Gariboldi, E Papa, ... Journal of medicinal chemistry 49 (11), 3293-3304, 2006 | 89 | 2006 |
| Screening and ranking of POPs for global half-life: QSAR approaches for prioritization based on molecular structure P Gramatica, E Papa Environmental science & technology 41 (8), 2833-2839, 2007 | 88 | 2007 |
| QSPR as a support for the EU REACH regulation and rational design of environmentally safer chemicals: PBT identification from molecular structure E Papa, P Gramatica Green Chemistry 12 (5), 836-843, 2010 | 86 | 2010 |
| An update of the BCF QSAR model based on theoretical molecular descriptors P Gramatica, E Papa QSAR & Combinatorial Science 24 (8), 953-960, 2005 | 79 | 2005 |
| Screening the leaching tendency of pesticides applied in the Amu Darya Basin (Uzbekistan) E Papa, S Castiglioni, P Gramatica, V Nikolayenko, O Kayumov, ... Water research 38 (16), 3485-3494, 2004 | 77 | 2004 |
Paola GramaticaFull Professor of Environmental Chemistry, Senior Prof.,Insubria University, Varese, ItalyVerified email at uninsubria.it
