ESTER PAPA

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Publications (79)

• QSAR Models for Climate Impact Assessment: Born to Be Sustainable
  Toxics 2026 DOI: 10.3390/toxics14080667
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• QSAR-ME Profiler 2025: A New Software for QSA(P)R Predictions Supported by Structural Analysis
  Chemical Research in Toxicology 2026 DOI: 10.1021/acs.chemrestox.5c00552
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• A Review of Quantitative Structure–Activity Relationship (QSAR) Models to Predict Thyroid Hormone System Disruption by Chemical Substances
  Toxics 2025 DOI: 10.3390/toxics13090799
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• New QSAR Models to Predict Human Transthyretin Disruption by Per- and Polyfluoroalkyl Substances (PFAS): Development and Application
  Toxics 2025 DOI: 10.3390/toxics13070590
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• Global Assessment of Emerging Contaminant Removal in Wastewater Treatment Plants: In Silico Hazard Screening and Risk Evaluation
  Toxics 2024 DOI: 10.3390/toxics13010006
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• Unveiling the interspecies correlation and sensitivity factor analysis of rat and mouse acute oral toxicity of antimicrobial agents: first QSTR and QTTR Modeling report
  Purusottam Banjare, Anjali Murmu, Balaji Wamanrao Matore +3 more
  Toxicology Research 2024 DOI: 10.1093/toxres/tfae191
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• In silico approaches for the prediction of the breakthrough of organic contaminants in wastewater treatment plants
  Environmental Science: Processes & Impacts 2024 DOI: 10.1039/D3EM00267E
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• Classification-based QSARs for predicting dietary biomagnification in fish
  SAR and QSAR in Environmental Research 2022 DOI: 10.1080/1062936X.2022.2066174
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• QSARINS‐Chem standalone version: A new platform‐independent software to profile chemicals for physico‐chemical properties, fate, and toxicity
  Journal of Computational Chemistry 2021 DOI: 10.1002/jcc.26551
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• Application of chemometric methods and QSAR models to support pesticide risk assessment starting from ecotoxicological datasets
  Water Research 2020 DOI: 10.1016/j.watres.2020.115583
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• Are in Silico Approaches Applicable As a First Step for the Prediction of e-Liquid Toxicity in e-Cigarettes?
  Chemical Research in Toxicology 2020 DOI: 10.1021/acs.chemrestox.0c00136
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• Compara: Collaborative modeling project for androgen receptor activity
  Kamel Mansouri, Nicole Kleinstreuer, Ahmed M. Abdelaziz +69 more
  Environmental Health Perspectives 2020 DOI: 10.1289/EHP5580
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• New BODIPYs for photodynamic therapy (PDT): Synthesis and activity on human cancer cell lines
  Bioorganic and Medicinal Chemistry 2020 DOI: 10.1016/j.bmc.2020.115737
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• Celebrating 40 Years of Career
  Molecular Informatics 2019 DOI: 10.1002/minf.201980831
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• Science and alternative methods: Integrated approaches
  Altex 2019 DOI: 10.14573/altex.1901301
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• Topological QSAR Modelling of Carboxamides Repellent Activity to Aedes Aegypti
  Molecular Informatics 2019 DOI: 10.1002/minf.201900029
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• Development of human biotransformation QSARs and application for PBT assessment refinement
  Food and Chemical Toxicology 2018 DOI: 10.1016/j.fct.2017.04.016
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• High-throughput evaluation of organic contaminant removal efficiency in a wastewater treatment plant using direct injection UHPLC-Orbitrap-MS/MS
  Environmental Science: Processes & Impacts 2018 DOI: 10.1039/C7EM00552K
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• QSAR modeling of cumulative environmental end-points for the prioritization of hazardous chemicals
  Environmental Science: Processes & Impacts 2018 DOI: 10.1039/C7EM00519A
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• In silico approaches for the prediction of in vivo biotransformation rates
  Challenges and Advances in Computational Chemistry and Physics 2017 DOI: 10.1007/978-3-319-56850-8_11
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