Ester Papa

发表

Paola Gramatica, Ester Papa, 2005 .

QSAR prediction of estrogen activity for a large set of diverse chemicals under the guidance of OECD principles.

Paola Gramatica, Huanxiang Liu, Ester Papa, 2006, Chemical research in toxicology.

QSARINS: new software for development and validation of MLR models; QSARINS-Chem: datasets and QSAR models for environmental pollutants

Paola Gramatica, Stefano Cassani, Alessandro Sangion, 2014 .

Multivariate chemical mapping of antibiotics and identification of structurally representative substances.

Paola Gramatica, Richard Lindberg, Ester Papa, 2007, Environmental science & technology.

Combinatorial QSAR Modeling of Chemical Toxicants Tested against Tetrahymena pyriformis

Igor V. Tetko, Hao Zhu, Artem Cherkasov, 2008, J. Chem. Inf. Model..

QSAR modeling of cumulative environmental end-points for the prioritization of hazardous chemicals.

Paola Gramatica, Alessandro Sangion, Ester Papa, 2018, Environmental science. Processes & impacts.

Daphnia and fish toxicity of (benzo)triazoles: validated QSAR models, and interspecies quantitative activity-activity modelling.

Paola Gramatica, Stefano Cassani, Partha Pratim Roy, 2013, Journal of hazardous materials.

Screening and prioritization of chemicals for REACH: The cumulative PBT Index model in QSARINS

Paola Gramatica, Stefano Cassani, Alessandro Sangion, 2015 .

QSAR Modeling is not “Push a Button and Find a Correlation”: A Case Study of Toxicity of (Benzo‐)triazoles on Algae

Paola Gramatica, Stefano Cassani, Chun Wei Yap, 2012, Molecular informatics.

Screening and ranking of POPs for global half-life: QSAR approaches for prioritization based on molecular structure.

Paola Gramatica, Ester Papa, P. Gramatica, 2007, Environmental science & technology.

In silico screening of estrogen-like chemicals based on different nonlinear classification models.

Paola Gramatica, Huanxiang Liu, Ester Papa, 2007, Journal of molecular graphics & modelling.

QSPR as a support for the EU REACH regulation and rational design of environmentally safer chemicals: PBT identification from molecular structure

Paola Gramatica, Ester Papa, P. Gramatica, 2010 .

Validated QSAR Prediction of OH Tropospheric Degradation of VOCs: Splitting into Training-Test Sets and Consensus Modeling

Paola Gramatica, Ester Papa, Pamela Pilutti, 2004, J. Chem. Inf. Model..

Application of chemometric methods and QSAR models to support pesticide risk assessment starting from ecotoxicological datasets.

Francesco Galimberti, Ester Papa, Angelo Moretto, 2020, Water research.

QSARINS: A new software for the development, analysis, and validation of QSAR MLR models

Paola Gramatica, Stefano Cassani, Simona Kovarich, 2013, J. Comput. Chem..

Critical Assessment of QSAR Models of Environmental Toxicity against Tetrahymena pyriformis: Focusing on Applicability Domain and Overfitting by Variable Selection

Igor V. Tetko, Hao Zhu, Alexandre Varnek, 2008, J. Chem. Inf. Model..

Modeling ready biodegradability of fragrance materials

Paola Gramatica, Robert Boethling, Simona Kovarich, 2015, Environmental toxicology and chemistry.

Science and alternative methods: Integrated approaches.

Francesca Caloni, Ester Papa, Yula Sambuy, 2019, ALTEX.

Statistically Validated QSARs, Based on Theoretical Descriptors, for Modeling Aquatic Toxicity of Organic Chemicals in Pimephales promelas (Fathead Minnow)

Paola Gramatica, Ester Papa, Fulvio Villa, 2005, J. Chem. Inf. Model..

Analysis of Mosses and Soils for Quantifying Heavy Metal Concentrations in Sicily: A Multivariate and Spatial Analytical Approach

Paola Gramatica, Robert J. A. Jones, Ester Papa, 2006, Environmental science and pollution research international.

CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

Ruili Huang, Scott Boyer, Xin Hu, 2020, Environmental health perspectives.

QSAR modeling and prediction of the endocrine-disrupting potencies of brominated flame retardants.

Paola Gramatica, Simona Kovarich, Ester Papa, 2010, Chemical research in toxicology.

Development, Validation and Inspection of the Applicability Domain of QSPR Models for Physicochemical Properties of Polybrominated Diphenyl Ethers

Paola Gramatica, Simona Kovarich, Ester Papa, 2009 .

An Update of the BCF QSAR Model Based on Theoretical Molecular Descriptors

Paola Gramatica, Ester Papa, P. Gramatica, 2005 .

Statistical external validation and consensus modeling: a QSPR case study for Koc prediction.

Paola Gramatica, Ester Papa, P. Gramatica, 2007, Journal of molecular graphics & modelling.

Metabolic biotransformation half-lives in fish: QSAR modeling and consensus analysis.

Paola Gramatica, Jon A Arnot, Ester Papa, 2014, The Science of the total environment.

QSAR Prediction of Ozone Tropospheric Degradation

Paola Gramatica, Ester Papa, P. Gramatica, 2003 .

Screening of persistent organic pollutants by QSPR classification models: a comparative study.

Paola Gramatica, Ester Papa, P. Gramatica, 2008, Journal of molecular graphics & modelling.

Evaluation and QSAR modeling on multiple endpoints of estrogen activity based on different bioassays.

Paola Gramatica, Huanxiang Liu, Ester Papa, 2008, Chemosphere.

Development of human biotransformation QSARs and application for PBT assessment refinement.

Paola Gramatica, Alessandro Sangion, Jon A Arnot, 2017, Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association.

Predicting the NO3 radical tropospheric degradability of organic pollutants by theoretical molecular descriptors

Paola Gramatica, Ester Papa, P. Gramatica, 2003 .

CADASTER QSPR Models for Predictions of Melting and Boiling Points of Perfluorinated Chemicals

Igor V. Tetko, Paola Gramatica, Tomas Öberg, 2011, Molecular informatics.

A tool for the assessment of VOC degradability by tropospheric oxidants starting from chemical structure

Paola Gramatica, Ester Papa, P. Gramatica, 2004 .

Quantitative structure-activity relationship modeling of polycyclic aromatic hydrocarbon mutagenicity by classification methods based on holistic theoretical molecular descriptors.

Paola Gramatica, Assunta Marrocchi, Ester Papa, 2007, Ecotoxicology and environmental safety.

UNDERSTANDING QUANTITATIVE STRUCTURE–PROPERTY RELATIONSHIPS UNCERTAINTY IN ENVIRONMENTAL FATE MODELING

Ullrika Sahlin, Tomas Öberg, Mark A J Huijbregts, 2013, Environmental toxicology and chemistry.

Combinatorial QSAR Modeling of Chemical Toxicants Tested against Tetrahymena pyriformis

Igor V. Tetko, Artem Cherkasov, Paola Gramatica, 2008, Journal of Chemical Information and Modeling.

Evaluation of CADASTER QSAR Models for the Aquatic Toxicity of (Benzo)triazoles and Prioritisation by Consensus Prediction

Paola Gramatica, Stefano Cassani, Ullrika Sahlin, 2013, Alternatives to laboratory animals : ATLA.

The QSPR-THESAURUS: The Online Platform of the CADASTER Project

Paola Gramatica, Stefano Cassani, Igor V Tetko, 2014, Alternatives to laboratory animals : ATLA.

QSAR Modeling of Bioconcentration Factor by theoretical molecular descriptors

Paola Gramatica, Ester Papa, P. Gramatica, 2003 .

QSAR classification models for the prediction of endocrine disrupting activity of brominated flame retardants.

Paola Gramatica, Simona Kovarich, Ester Papa, 2011, Journal of hazardous materials.