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List of works by Ester Papa

Accumulation of Persistent Organic Pollutants in Canopies of Different Forest Types: Role of Species Composition and Altitudinal-Temperature Gradient

article

Antiproliferative Pt(IV) complexes: synthesis, biological activity, and quantitative structure–activity relationship modeling

article

Approaches for externally validated QSAR modelling of Nitrated Polycyclic Aromatic Hydrocarbon mutagenicity†

scientific article published on 01 January 2007

Assessing predictive uncertainty in comparative toxicity potentials of triazoles.

scientific article published on 16 December 2013

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

scientific article published on 17 March 2011

ChemInform Abstract: Combinatorial QSAR Modeling of Chemical Toxicants Tested Against Tetrahymena pyriformis

CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

scientific article published on 07 February 2020

Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformis

scientific article

Comparison between 5,10,15,20-tetraaryl- and 5,15-diarylporphyrins as photosensitizers: synthesis, photodynamic activity, and quantitative structure-activity relationship modeling.

scientific article published on June 2006

Critical assessment of QSAR models of environmental toxicity against Tetrahymena pyriformis: focusing on applicability domain and overfitting by variable selection

scientific article published on 26 August 2008

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

scientific article

Development of human biotransformation QSARs and application for PBT assessment refinement

article

Externally validated QSPR modelling of VOC tropospheric oxidation by NO3 radicals.

scientific article published in January 2008

High-throughput evaluation of organic contaminant removal efficiency in a wastewater treatment plant using direct injection UHPLC-Orbitrap-MS/MS

article

Linear QSAR regression models for the prediction of bioconcentration factors by physicochemical properties and structural theoretical molecular descriptors.

scientific article published on 15 November 2006

Linear and non-linear modelling of the cytotoxicity of TiO2 and ZnO nanoparticles by empirical descriptors.

scientific article published on 2 September 2015

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

scientific article

Modeling ready biodegradability of fragrance materials.

scientific article published on 17 April 2015

On the Use of Local and Global QSPRs for the Prediction of Physico-chemical Properties of Polybrominated Diphenyl Ethers

scientific article published on 17 March 2011

QSAR Modeling is not "Push a Button and Find a Correlation": A Case Study of Toxicity of (Benzo-)triazoles on Algae.

scientific article published on 19 November 2012

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

scientific article published on 9 March 2011

QSAR classification models for the screening of the endocrine-disrupting activity of perfluorinated compounds.

scientific article

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

scientific article published on 11 December 2017

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

scientific article published in November 2006

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

scientific article published on 17 April 2006

Ranking of aquatic toxicity of esters modelled by QSAR.

scientific article published in February 2005

Ranking of phenols for abiotic oxidation in aqueous environment: a QSPR approach.

scientific article published in March 2005

Screening and Ranking of POPs for Global Half-Life: QSAR Approaches for Prioritization Based on Molecular Structure

scientific article published on 01 April 2007

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

article

Screening the leaching tendency of pesticides applied in the Amu Darya Basin (Uzbekistan).

scientific article published on September 2004

Semivolatile PAH and n-alkane gas/particle partitioning using the dual model: up-to-date coefficients and comparison with experimental data

scientific article

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

scientific article published on 4 August 2006

Understanding quantitative structure-property relationships uncertainty in environmental fate modeling

scientific article published on 29 March 2013

Validated QSAR prediction of OH tropospheric degradation of VOCs: splitting into training-test sets and consensus modeling.

scientific article

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