Research
Most publications from our lab focus on in-silico modeling for human health risk assessment with particular focus on toxicological aspect and literature mining related to toxicology. We have diverse group members with one section emphasized on developing physiologically based kinetic models, pharmacodynamic models and systems biology models for environmental chemicals and pharmaceutical drugs. Another section of our lab focus on text mining and developing tools like AOP-wiki explorer, AOP-bot etc. for extracting the useful infromation from vast litertaure. We also have expertise related to developing biological ontologies using ontology development kit.
All
2024
AOPWIKI-EXPLORER: An interactive graph-based query engine leveraging large language models
Computational Toxicology
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01 Jun 2024
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doi:10.1016/j.comtox.2024.100308
IVIVE-PBPK based new approach methodology for addressing early life toxicity induced by Bisphenol A
Environmental Research
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01 Jan 2024
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doi:10.1016/j.envres.2023.117343
2023
AOPWIKI-EXPLORER: An Interactive Graph-based Query Engine leveraging Large Language Models
Cold Spring Harbor Laboratory
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21 Nov 2023
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doi:10.1101/2023.11.21.568076
The Role of “Physiologically Based Pharmacokinetic Model (PBPK)” New Approach Methodology (NAM) in Pharmaceuticals and Environmental Chemical Risk Assessment
International Journal of Environmental Research and Public Health
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16 Feb 2023
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doi:10.3390/ijerph20043473
2022
The Role of “Physiologically Based Pharmacokinetic Model (PBPK)” New Approach Methodology (NAMs) in Pharmaceuticals and Environmental Chemical Risk Assessment
MDPI AG
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30 Dec 2022
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doi:10.20944/preprints202212.0564.v1
Unravelling sex-specific BPA toxicokinetics in children using a pediatric PBPK model
Environmental Research
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01 Dec 2022
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doi:10.1016/j.envres.2022.114074
Chlorpyrifos, permethrin and cyfluthrin effect on cell survival, permeability, and tight junction in an in-vitro model of the human blood-brain barrier (BBB)
NeuroToxicology
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01 Dec 2022
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doi:10.1016/j.neuro.2022.09.010
Pharmacophore Modeling Using Machine Learning for Screening the Blood–Brain Barrier Permeation of Xenobiotics
International Journal of Environmental Research and Public Health
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18 Oct 2022
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doi:10.3390/ijerph192013471
P09-04 Effect of endocrine disrupting chemicals on gut microbiota in the in-vitro model of enteric nervous system
Toxicology Letters
·
01 Sep 2022
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doi:10.1016/j.toxlet.2022.07.425
P04-24 Deciphering blood brain barrier permeability with pharmacophore enabled artificial intelligence (AI)
Toxicology Letters
·
01 Sep 2022
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doi:10.1016/j.toxlet.2022.07.308
P04-11 Integrated in vivo and in silico (PBPK) study for pharmacokinetic profiling of amorphous solid dispersion of riluzole
Toxicology Letters
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01 Sep 2022
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doi:10.1016/j.toxlet.2022.07.295
P04-03 Evaluation of the generic physiologically based pharmacokinetic model (PBPK) for organophosphate flame retardants (OPFRs) and neurotoxic risk assessment in children
Toxicology Letters
·
01 Sep 2022
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doi:10.1016/j.toxlet.2022.07.287
Bibliometric Analysis of the Toxicity of Bisphenol A
International Journal of Environmental Research and Public Health
·
27 Jun 2022
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doi:10.3390/ijerph19137886
Antibacterial & antioxidant activity of different extract of moringa oleifera leaves - an in-vitro study
International Journal of Pharmaceutical Sciences Review and Research
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29 May 2022
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eid:2-s2.0-84862955392
Unified framework for water balance and hydrologic simulation: Part I – theoretical development
International Journal of Earth Sciences and Engineering
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25 May 2022
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eid:2-s2.0-84986196586
A multicriteria Fuzzy Decision System to sort contaminated soils
Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
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24 May 2022
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eid:2-s2.0-33745606018
Bayesian challenges in Integrated Catchment modelling
Proc. iEMSs 4th Biennial Meeting - Int. Congress on Environmental Modelling and Software: Integrating Sciences and Information Technology for Environmental Assessment and Decision Making, iEMSs 2008
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24 May 2022
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eid:2-s2.0-84857234665
An integrated multimedia model and multicriteria analysis approach to managing sewage sludge application on agricultural soils: Framework and methodology
Proc. iEMSs 4th Biennial Meeting - Int. Congress on Environmental Modelling and Software: Integrating Sciences and Information Technology for Environmental Assessment and Decision Making, iEMSs 2008
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24 May 2022
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eid:2-s2.0-84858323055
A consistent framework for knowledge integration to support integrated catchment management
Proc. iEMSs 4th Biennial Meeting - Int. Congress on Environmental Modelling and Software: Integrating Sciences and Information Technology for Environmental Assessment and Decision Making, iEMSs 2008
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24 May 2022
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eid:2-s2.0-84858308718
Warranty failure analysis in service supply Chain a multi-agent framework
SCMIS 2010 - Proceedings of 2010 8th International Conference on Supply Chain Management and Information Systems: Logistics Systems and Engineering
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24 May 2022
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eid:2-s2.0-79551555737
Integrated meta-modelling for decision support in Integrated Catchment Management
Modelling for Environment's Sake: Proceedings of the 5th Biennial Conference of the International Environmental Modelling and Software Society, iEMSs 2010
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24 May 2022
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eid:2-s2.0-84858625488
Environmental integrated closed loop logistics model: An artificial bee colony approach
SCMIS 2010 - Proceedings of 2010 8th International Conference on Supply Chain Management and Information Systems: Logistics Systems and Engineering
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24 May 2022
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eid:2-s2.0-79551522606
Bayesian networks and social objectives: A canoeing case study
Modelling for Environment's Sake: Proceedings of the 5th Biennial Conference of the International Environmental Modelling and Software Society, iEMSs 2010
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24 May 2022
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eid:2-s2.0-84858635017
An interactive visual decision support tool for sustainable urban river corridor management
Modelling for Environment's Sake: Proceedings of the 5th Biennial Conference of the International Environmental Modelling and Software Society, iEMSs 2010
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24 May 2022
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eid:2-s2.0-84858653039
A comparison of Fuzzy, Bayesian and Weighted Average formulations of an in-stream habitat suitability model
Modelling for Environment's Sake: Proceedings of the 5th Biennial Conference of the International Environmental Modelling and Software Society, iEMSs 2010
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24 May 2022
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eid:2-s2.0-84858665865
Application of Bayesian networks for agricultural land suitability classification: A case study of biosolids amendment
iEMSs 2012 - Managing Resources of a Limited Planet: Proceedings of the 6th Biennial Meeting of the International Environmental Modelling and Software Society
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24 May 2022
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eid:2-s2.0-84894162282
Framework for risk assessment of PFAS utilizing experimental studies and in-silico models
Environmental Research
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01 May 2022
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doi:10.1016/j.envres.2022.112722
Human Biomonitoring Data in Health Risk Assessments Published in Peer-Reviewed Journals between 2016 and 2021: Confronting Reality after a Preliminary Review
International Journal of Environmental Research and Public Health
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13 Mar 2022
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doi:10.3390/ijerph19063362
Impact of Contaminants on Microbiota: Linking the Gut–Brain Axis with Neurotoxicity
International Journal of Environmental Research and Public Health
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26 Jan 2022
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doi:10.3390/ijerph19031368
2021
EDC-induced mechanisms of immunotoxicity: a systematic review
Critical Reviews in Toxicology
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09 Aug 2021
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doi:10.1080/10408444.2021.2009438
Risk Assessment of Perfluorooctane Sulfonate (PFOS) using Dynamic Age Dependent Physiologically based Pharmacokinetic Model (PBPK) across Human Lifetime
Environmental Research
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01 Aug 2021
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doi:10.1016/j.envres.2021.111287
Human biomonitoring of bisphenol A along pregnancy: An exposure reconstruction of the EXHES-Spain cohort
Environmental Research
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01 May 2021
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doi:10.1016/j.envres.2021.110941
IN201841006334 - TOPICAL COMPOSITION FOR HAIR GROWTH PROMOTING AGENTS
Patent Office
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09 Feb 2021
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:
ANN-Based Integrated Risk Ranking Approach: A Case Study of Contaminants of Emerging Concern of Fish and Seafood in Europe
International Journal of Environmental Research and Public Health
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08 Feb 2021
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doi:10.3390/ijerph18041598
Characterization of river biofilm responses to the exposure with heavy metals using a novel micro fluorometer biosensor
Aquatic Toxicology
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01 Feb 2021
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doi:10.1016/j.aquatox.2020.105732
Performance of Chlorella Vulgaris Exposed to Heavy Metal Mixtures: Linking Measured Endpoints and Mechanisms
International Journal of Environmental Research and Public Health
·
25 Jan 2021
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doi:10.3390/ijerph18031037
2020
ROS networks: designs, aging, Parkinson’s disease and precision therapies
npj Systems Biology and Applications
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26 Oct 2020
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doi:10.1038/s41540-020-00150-w
Test and Risk Assessment Strategies for combined exposure to multiple chemicals
Food and Chemical Toxicology
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01 Oct 2020
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doi:10.1016/j.fct.2020.111607
Maternal exposure to mixtures of dienestrol, linuron and flutamide. Part II: Endocrine-related gene expression assessment on male offspring rat testes
Food and Chemical Toxicology
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01 Oct 2020
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doi:10.1016/j.fct.2020.111603
Comparison of aggregated exposure to di(2-ethylhexyl) phthalate from diet and personal care products with urinary concentrations of metabolites using a PBPK model – Results from the Norwegian biomonitoring study in EuroMix
Food and Chemical Toxicology
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01 Sep 2020
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doi:10.1016/j.fct.2020.111510
An integrative translational framework for chemical induced neurotoxicity – a systematic review
Critical Reviews in Toxicology
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27 May 2020
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doi:10.1080/10408444.2020.1763253
2019
An Ex Vivo Evaluation of Moxifloxacin Nanostructured Lipid Carrier Enriched In Situ Gel for Transcorneal Permeation on Goat Cornea
Journal of Pharmaceutical Sciences
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01 Sep 2019
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doi:10.1016/j.xphs.2019.04.005
Physiology-based toxicokinetic modelling in the frame of the European Human Biomonitoring Initiative
Environmental Research
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01 May 2019
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doi:10.1016/j.envres.2019.01.045
Intranasal Drug Delivery of Frovatriptan Succinate–Loaded Polymeric Nanoparticles for Brain Targeting
Journal of Pharmaceutical Sciences
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01 Feb 2019
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doi:10.1016/j.xphs.2018.07.013
2018
Finding synergies for 3Rs – Toxicokinetics and read-across: Report from an EPAA partners' Forum
Regulatory Toxicology and Pharmacology
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01 Nov 2018
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doi:10.1016/j.yrtph.2018.08.006
Development of a human physiologically based pharmacokinetic (PBPK) model for phthalate (DEHP) and its metabolites: A bottom up modeling approach
Toxicology Letters
·
01 Oct 2018
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doi:10.1016/j.toxlet.2018.06.1217
Comparing dietary and non-dietary source contribution of BPA and DEHP to prenatal exposure: A Catalonia (Spain) case study
Environmental Research
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01 Oct 2018
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doi:10.1016/j.envres.2018.05.008
Differential protein expression of hippocampal cells associated with heavy metals (Pb, As, and MeHg) neurotoxicity: Deepening into the molecular mechanism of neurodegenerative diseases
Journal of Proteomics
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01 Sep 2018
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doi:10.1016/j.jprot.2018.06.020
The development of a pregnancy PBPK Model for Bisphenol A and its evaluation with the available biomonitoring data
Science of The Total Environment
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01 May 2018
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doi:10.1016/j.scitotenv.2017.12.023
Package Development of Pharmaceutical Products
Dosage Form Design Parameters
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01 Jan 2018
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doi:10.1016/b978-0-12-814421-3.00015-4
An in vitro cytotoxic approach to assess the toxicity of heavy metals and their binary mixtures on hippocampal HT-22 cell line
Toxicology Letters
·
01 Jan 2018
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doi:10.1016/j.toxlet.2017.10.002
2017
Performance of Raphidocelis subcapitata exposed to heavy metal mixtures
Science of The Total Environment
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01 Dec 2017
·
doi:10.1016/j.scitotenv.2017.05.177
Comparative In Vitro Toxicity Evaluation of Heavy Metals (Lead, Cadmium, Arsenic, and Methylmercury) on HT-22 Hippocampal Cell Line
Biological Trace Element Research
·
09 Oct 2017
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doi:10.1007/s12011-017-1177-x
Prenatal exposure estimation of BPA and DEHP using integrated external and internal dosimetry: A case study
Environmental Research
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01 Oct 2017
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doi:10.1016/j.envres.2017.07.016
Developing integrated PBPK/PD coupled mechanistic pathway model (miRNA-BDNF): An approach towards system toxicology
Toxicology Letters
·
01 Oct 2017
·
doi:10.1016/j.toxlet.2017.08.003
Effects on the reproductive system of young male rats of subcutaneous exposure to n-butylparaben
Food and Chemical Toxicology
·
01 Aug 2017
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doi:10.1016/j.fct.2017.05.031
Review on crosstalk and common mechanisms of endocrine disruptors: Scaffolding to improve PBPK/PD model of EDC mixture
Environment International
·
01 Feb 2017
·
doi:10.1016/j.envint.2016.09.016
2016
Spatial and temporal variation of groundwater quality and its suitability for irrigation and drinking purpose using GIS and WQI in an urban fringe
Journal of African Earth Sciences
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01 Dec 2016
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doi:10.1016/j.jafrearsci.2016.08.015
Heavy metals (Pb, Cd, As and MeHg) as risk factors for cognitive dysfunction: A general review of metal mixture mechanism in brain
Environmental Toxicology and Pharmacology
·
01 Dec 2016
·
doi:10.1016/j.etap.2016.09.016
Influence of the uncertainty in the validation of PBPK models: A case-study for PFOS and PFOA
Regulatory Toxicology and Pharmacology
·
01 Jun 2016
·
doi:10.1016/j.yrtph.2016.03.009
Analysis of the uncertainty in the monetary valuation of ecosystem services — A case study at the river basin scale
Science of The Total Environment
·
01 Feb 2016
·
doi:10.1016/j.scitotenv.2015.11.066
Simulation Model for Predicting the Effects of Changes in Land Use on Watershed Hydrology
Indian Journal of Science and Technology
·
12 Jan 2016
·
doi:10.17485/ijst/2016/v9i2/86356
Exploring the utility of Bayesian Networks for modelling cultural ecosystem services: A canoeing case study
Science of The Total Environment
·
01 Jan 2016
·
doi:10.1016/j.scitotenv.2015.08.027
Adaptation strategies for water supply management in a drought prone Mediterranean river basin: Application of outranking method
Science of The Total Environment
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01 Jan 2016
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doi:10.1016/j.scitotenv.2015.06.062
2015
An approach to assess the Particulate Matter exposure for the population living around a cement plant: modelling indoor air and particle deposition in the respiratory tract
Environmental Research
·
01 Nov 2015
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doi:10.1016/j.envres.2015.09.008
Physiologically based pharmacokinetic modeling of perfluoroalkyl substances in the human body
Toxicological & Environmental Chemistry
·
03 Jul 2015
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doi:10.1080/02772248.2015.1060976
2014
A PBPK model to estimate PCDD/F levels in adipose tissue: Comparison with experimental values of residents near a hazardous waste incinerator
Environment International
·
01 Dec 2014
·
doi:10.1016/j.envint.2014.07.020
PBPK modeling for PFOS and PFOA: Validation with human experimental data
Toxicology Letters
·
01 Oct 2014
·
doi:10.1016/j.toxlet.2014.01.007
Bis(Methylpyridine)‐EDTA Derivative as a Potential Ligand for PET Imaging: Synthesis, Complexation, and Biological Evaluation
Chemical Biology & Drug Design
·
03 Jul 2014
·
doi:10.1111/cbdd.12366
Bayesian Network Application to Land Suitability Classification in the Sewage Sludge Amendment of Agricultural Soils
Human and Ecological Risk Assessment: An International Journal
·
06 Feb 2014
·
doi:10.1080/10807039.2013.793092
2013
Integrated modelling for Sustainability Appraisal of urban river corridors: Going beyond compartmentalised thinking
Water Research
·
01 Dec 2013
·
doi:10.1016/j.watres.2013.10.034
The impact of climate change on water provision under a low flow regime: A case study of the ecosystems services in the Francoli river basin
Journal of Hazardous Materials
·
01 Dec 2013
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doi:10.1016/j.jhazmat.2013.07.049
Dynamic interactions between hydrogeological and exposure parameters in daily dose prediction under uncertainty and temporal variability
Journal of Hazardous Materials
·
01 Dec 2013
·
doi:10.1016/j.jhazmat.2013.08.036
A Multi-Agent Architecture Framework to Improve Wine Supply Chain Coordination
Advances in Sustainable and Competitive Manufacturing Systems
·
01 Jan 2013
·
doi:10.1007/978-3-319-00557-7_88
2012
A concurrent neuro-fuzzy inference system for screening the ecological risk in rivers
Environmental Science and Pollution Research
·
29 Apr 2012
·
doi:10.1007/s11356-011-0595-0
Bringing diverse knowledge sources together – A meta-model for supporting integrated catchment management
Journal of Environmental Management
·
01 Apr 2012
·
doi:10.1016/j.jenvman.2011.10.016
2011
Levels of chemical and microbiological pollutants in the vicinity of a waste incineration plant and human health risks: Temporal trends
Chemosphere
·
01 Sep 2011
·
doi:10.1016/j.chemosphere.2011.04.041
Challenges in developing an integrated catchment management model
Water and Environment Journal
·
17 Aug 2011
·
doi:10.1111/j.1747-6593.2010.00229.x
Health Risk Map of a Petrochemical Complex through GIS-Fuzzy Integration of Air Pollution Monitoring Data
Human and Ecological Risk Assessment: An International Journal
·
01 Jul 2011
·
doi:10.1080/10807039.2011.556941
2010
Integrated fuzzy framework to incorporate uncertainty in risk management
International Journal of Environment and Pollution
·
01 Jan 2010
·
doi:10.1504/IJEP.2010.034244
A Multi-agent Framework for Agile Outsourced Supply Chains
Enterprise Networks and Logistics for Agile Manufacturing
·
01 Jan 2010
·
doi:10.1007/978-1-84996-244-5_10
2009
Partitioning total variance in risk assessment: Application to a municipal solid waste incinerator
Environmental Modelling & Software
·
01 Feb 2009
·
doi:10.1016/j.envsoft.2008.06.012
2008
Applicability of a Neuroprobabilistic Integral Risk Index for the Environmental Management of Polluted Areas: A Case Study
Risk Analysis
·
01 Apr 2008
·
doi:10.1111/j.1539-6924.2008.01018.x
2006
Definition and GIS-based characterization of an integral risk index applied to a chemical/petrochemical area
Chemosphere
·
01 Aug 2006
·
doi:10.1016/j.chemosphere.2005.11.078
Integrated Fuzzy Approach for System Modeling and Risk Assessment
Modeling Decisions for Artificial Intelligence
·
01 Jan 2006
·
doi:10.1007/11681960_23
2005
Fuzzy uncertainty analysis in system modelling
Computer Aided Chemical Engineering
·
01 Jan 2005
·
doi:10.1016/S1570-7946(05)80187-7
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[no publisher info]
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[no date info]
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doi:10.3233/978-1-61499-452-7-77