Ester Papa
Ester Papa
Associate Professor, University of Insubria
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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
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
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
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
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
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
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
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
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
QSAR modeling of bioconcentration factor by theoretical molecular descriptors
P Gramatica, E Papa
QSAR & Combinatorial Science 22 (3), 374-385, 2003
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
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
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
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
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
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
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
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
An update of the BCF QSAR model based on theoretical molecular descriptors
P Gramatica, E Papa
QSAR & Combinatorial Science 24 (8), 953-960, 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
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