A. Gajewicz

发表

Efficient way of designing fullerene derivatives based on simplified DFT calculations and QSPR modeling

T. Puzyn, Celina Sikorska, A. Gajewicz, 2016 .

A 1H NMR relaxometry investigation of gel-pore drying shrinkage in cement pastes

E. Gartner, A. Gajewicz, P. McDonald, 2016 .

Investigating the influence of data splitting on the predictive ability of QSAR/QSPR models

T. Puzyn, A. Worth, A. Gajewicz, 2011 .

Chemometric analysis of correlations between electronic absorption characteristics and structural and/or physicochemical parameters for ampholytic substances of biological and pharmaceutical relevance.

T. Puzyn, A. Gajewicz, J. Błażejowski, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Using nano-QSAR to predict the cytotoxicity of metal oxide nanoparticles.

Jerzy Leszczynski, Tomasz Puzyn, Danuta Leszczynska, 2011, Nature nanotechnology.

Global versus local QSPR models for persistent organic pollutants: balancing between predictivity and economy

Tomasz Puzyn, Maciej Haranczyk, Agnieszka Gajewicz, 2011 .

Towards the Application of Structure-Property Relationship Modeling in Materials Science: Predicting the Seebeck Coefficient for Ionic Liquid/Redox Couple Systems.

A. Sosnowska, T. Puzyn, Maciej Barycki, 2016, Chemphyschem : a European journal of chemical physics and physical chemistry.

Modeling adsorption of brominated, chlorinated and mixed bromo/chloro-dibenzo-p-dioxins on C60 fullerene using Nano-QSPR

Tomasz Puzyn, Maciej Haranczyk, Celina Sikorska, 2017, Beilstein journal of nanotechnology.

A new metric for long-range transport potential of chemicals.

Katarzyna Odziomek, Tomasz Puzyn, Karolina Jagiello, 2014, Environmental science & technology.

Extrapolating between toxicity endpoints of metal oxide nanoparticles: Predicting toxicity to Escherichia coli and human keratinocyte cell line (HaCaT) with Nano-QTTR.

Jerzy Leszczynski, Tomasz Puzyn, Kunal Roy, 2016, Ecotoxicology and environmental safety.

Periodic table-based descriptors to encode cytotoxicity profile of metal oxide nanoparticles: a mechanistic QSTR approach.

Jerzy Leszczynski, Tomasz Puzyn, Kunal Roy, 2014, Ecotoxicology and environmental safety.

The way to cover prediction for cytotoxicity for all existing nano-sized metal oxides by using neural network method

Marjana Novic, Natalja Fjodorova, Agnieszka Gajewicz, 2017, Nanotoxicology.

Nano-QSAR modeling for ecosafe design of heterogeneous TiO2-based nano-photocatalysts

Tomasz Puzyn, Agnieszka Gajewicz, Alicja Mikolajczyk, 2018 .

Comparing the CORAL and Random Forest Approaches for Modelling the In Vitro Cytotoxicity of Silica Nanomaterials

Tomasz Puzyn, Lang Tran, Serena Manganelli, 2016, Alternatives to laboratory animals : ATLA.

From basic physics to mechanisms of toxicity: the "liquid drop" approach applied to develop predictive classification models for toxicity of metal oxide nanoparticles.

Jerzy Leszczynski, Tomasz Puzyn, Natalia Sizochenko, 2014, Nanoscale.

Evaluating the toxicity of TiO2-based nanoparticles to Chinese hamster ovary cells and Escherichia coli: a complementary experimental and computational approach

Jerzy Leszczynski, Tomasz Puzyn, Natalia Sizochenko, 2017, Beilstein journal of nanotechnology.

Theoretical studies on interactions between low energy electrons and protein-DNA fragments: valence anions of AT-amino acids side chain complexes.

J. Leszczynski, J. Rak, A. Gajewicz, 2011, Physical chemistry chemical physics : PCCP.

Predicting enthalpy of vaporization for Persistent Organic Pollutants with Quantitative Structure–Property Relationship (QSPR) incorporating the influence of temperature on volatility

Tomasz Puzyn, Maciej Haranczyk, Karolina Jagiello, 2014 .

Reliability of environmental fate modeling results for POPs based on various methods of determining the air/water partition coefficient (log KAW)

T. Puzyn, M. Haranczyk, A. Gajewicz, 2013 .

Rapid insight into C60 influence on biological functions of proteins

T. Puzyn, A. Gajewicz, A. Giełdoń, 2017, Structural Chemistry.

The Essential Elements of a Risk Governance Framework for Current and Future Nanotechnologies

Igor Linkov, Finbarr Murphy, Marlene Ågerstrand, 2018, Risk analysis : an official publication of the Society for Risk Analysis.

The characterisation of cement based materials using T2 1H nuclear magnetic resonance relaxation analysis.

A. Gajewicz, R. Morrell, P. McDonald, 2016 .

Temperature-dependent structure-property modeling of viscosity for ionic liquids

A. Sosnowska, T. Puzyn, Maciej Barycki, 2016 .

Comment on “ Causation or only correlation? Application of causal inference graphs for evaluating causality in nano-QSAR models ” by

T. Puzyn, J. Leszczynski, A. Gajewicz, 2018 .

Predicting Physical Properties of Nanofluids by Computational Modeling

T. Puzyn, J. Leszczynski, A. Gajewicz, 2017 .

Densification of C–S–H Measured by 1H NMR Relaxometry

K. Scrivener, A. Gajewicz, P. McDonald, 2013 .

Influence of silica fume on the microstructure of cement pastes: New insights from 1H NMR relaxometry

K. Scrivener, A. Gajewicz, J. Skibsted, 2015 .

In fl uence of silica fume on the microstructure of cement pastes : New insights from 1 H NMR relaxometry

K. Scrivener, A. Gajewicz, J. Skibsted, 2015 .

STUDY OF THE NANO-STRUCTURE OF C-S-H USING NUCLEAR MAGNETIC RESONANCE

K. Scrivener, A. Gajewicz, P. McDonald, 2014 .

Use of bench-top NMR to measure the density, composition and desorption isotherm of C–S–H in cement paste

K. Scrivener, S. Panero, S. Brutti, 2013 .

Metal Oxide Nanoparticles: Size-Dependence of Quantum-Mechanical Properties

Jerzy Leszczynski, Tomasz Puzyn, Danuta Leszczynska, 2012 .

Ab Initio Studies of Anatase TiO2 (101) Surface-supported Au8 Clusters.

T. Puzyn, J. Leszczynski, A. Gajewicz, 2015, Current topics in medicinal chemistry.

Perspectives from the NanoSafety Modelling Cluster on the validation criteria for (Q)SAR models used in nanotechnology.

Haralambos Sarimveis, Emilio Benfenati, Tomasz Puzyn, 2017, Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association.

Development of valuable predictive read-across models based on “real-life” (sparse) nanotoxicity data

Agnieszka Gajewicz, A. Gajewicz, 2017 .

Zeta Potential for Metal Oxide Nanoparticles: A Predictive Model Developed by a Nano-Quantitative Structure–Property Relationship Approach

Jerzy Leszczynski, Tomasz Puzyn, Agnieszka Gajewicz, 2015 .

Advancing risk assessment of engineered nanomaterials: application of computational approaches.

Jerzy Leszczynski, Danuta Leszczynska, Agnieszka Gajewicz, 2012, Advanced drug delivery reviews.

Towards understanding mechanisms governing cytotoxicity of metal oxides nanoparticles: Hints from nano-QSAR studies

Jerzy Leszczynski, Tomasz Puzyn, Danuta Leszczynska, 2015, Nanotoxicology.

Explanations for Water Whitening in Secondary Dispersion and Emulsion Polymer Films

Yang Liu, A. Gajewicz, J. Keddie, 2016 .

Novel approach for efficient predictions properties of large pool of nanomaterials based on limited set of species: nano-read-across

Jerzy Leszczynski, Tomasz Puzyn, Agnieszka Gajewicz, 2015, Nanotechnology.

Nanomaterial grouping: Existing approaches and future recommendations

Andrea Haase, Blanca Suarez-Merino, Nicklas Raun Jacobsen, 2019, NanoImpact.

Addressing a bottle neck for regulation of nanomaterials: quantitative read-across (Nano-QRA) algorithm for cases when only limited data is available

Mark T. D. Cronin, Jerzy Leszczynski, Karolina Jagiello, 2017 .

Evaluation criteria for the quality of published experimental data on nanomaterials and their usefulness for QSAR modelling

J C Madden, M T D Cronin, S J Enoch, 2013, SAR and QSAR in environmental research.

Predicting logarithmic values of the subcooled liquid vapor pressure of halogenated persistent organic pollutants with QSPR: How different are chlorinated and brominated congeners?

Tomasz Puzyn, Maciej Haranczyk, Agnieszka Gajewicz, 2010 .

Combined experimental and computational approach to developing efficient photocatalysts based on Au/Pd–TiO2 nanoparticles

Tomasz Puzyn, Agnieszka Gajewicz, Alicja Mikolajczyk, 2016 .

Decision tree models to classify nanomaterials according to the DF4nanoGrouping scheme

Katarzyna Odziomek, Tomasz Puzyn, Andreas Luch, 2018, Nanotoxicology.

What if the number of nanotoxicity data is too small for developing predictive Nano-QSAR models? An alternative read-across based approach for filling data gaps.

Agnieszka Gajewicz, A. Gajewicz, 2017, Nanoscale.

Nanomaterials – the Next Great Challenge for Qsar Modelers

Jerzy Leszczynski, Danuta Leszczynska, Agnieszka Gajewicz, 2009, Recent Advances in QSAR Studies.

Chapter 10:Nano-QSAR: Advances and Challenges

Danuta Leszczynska, Agnieszka Gajewicz, Tomasz Puzyn, 2012 .

Computational Nanotoxicology

Tomasz Puzyn, Agnieszka Gajewicz, T. Puzyn, 2019 .

“NanoBRIDGES” software: Open access tools to perform QSAR and nano-QSAR modeling

Tomasz Puzyn, Kunal Roy, Pravin Ambure, 2015 .

Nano-quantitative structure-activity relationship modeling using easily computable and interpretable descriptors for uptake of magnetofluorescent engineered nanoparticles in pancreatic cancer cells.

Tomasz Puzyn, Kunal Roy, Supratik Kar, 2014, Toxicology in vitro : an international journal published in association with BIBRA.

Direct QSPR: the most efficient way of predicting organic carbon/water partition coefficient (log KOC) for polyhalogenated POPs

Jerzy Leszczynski, Tomasz Puzyn, Maciej Haranczyk, 2014, Structural Chemistry.

Towards modelling of the environmental fate of pharmaceuticals using the QSPR-MM scheme

Hiroshi Yamamoto, Tomasz Puzyn, Noriyuki Suzuki, 2015, Environ. Model. Softw..

Size-dependent electronic properties of nanomaterials: How this novel class of nanodescriptors supposed to be calculated?

Jerzy Leszczynski, Tomasz Puzyn, Manthos G. Papadopoulos, 2017, Structural Chemistry.

Initio Studies of Anatase TiO 2 ( 101 ) Surface-supported Au 8 Clusters

T. Puzyn, J. Leszczynski, A. Gajewicz, 2015 .

On the uses of predictive toxicology to approve the use of engineered nanomaterials as biocidal active substances under the Biocidal Products Regulation

Emilio Benfenati, Agnieszka Gajewicz, Tomasz Puzyn, 2019, IOP Conference Series: Materials Science and Engineering.

The mechanism of water–isopropanol exchange in cement pastes evidenced by NMR relaxometry

A. Gajewicz, P. McDonald, R. Kowalczyk, 2014 .

Reply to the comment on "Causation or only correlation? Application of causal inference graphs for evaluating causality in nano-QSAR models" by D. A. Tasi, J. Csontos, B. Nagy, Z. Kónya and G. Tasi, Nanoscale, 2018, 10, C8NR02377H.

T. Puzyn, J. Leszczynski, A. Gajewicz, 2018, Nanoscale.

Using nano-QSAR to predict the cytotoxicity of metal oxide nanoparticles.

T. Puzyn, J. Leszczynski, H. Hwang, 2011, Nature nanotechnology.

How to judge whether QSAR/read-across predictions can be trusted: a novel approach for establishing a model's applicability domain

Agnieszka Gajewicz, A. Gajewicz, 2018 .

Causation or only correlation? Application of causal inference graphs for evaluating causality in nano-QSAR models.

Jerzy Leszczynski, Tomasz Puzyn, Natalia Sizochenko, 2016, Nanoscale.

Causal inference methods to assist in mechanistic interpretation of classification nano-SAR models

Jerzy Leszczynski, Natalia Sizochenko, Agnieszka Gajewicz, 2015 .

From basic physics to mechanisms of toxicity: the "liquid drop" approach applied to develop predictive classification models for toxicity of metal oxide nanoparticles.

T. Puzyn, J. Leszczynski, A. Gajewicz, 2014, Nanoscale.

Compilation of Data and Modelling of Nanoparticle Interactions and Toxicity in the NanoPUZZLES Project.

Emilio Benfenati, Tomasz Puzyn, Georgios Leonis, 2017, Advances in experimental medicine and biology.

Towards the Application of Structure-Property Relationship Modeling in Materials Science: Predicting the Seebeck Coefficient for Ionic Liquid/Redox Couple Systems.

A. Sosnowska, T. Puzyn, Maciej Barycki, 2016, Chemphyschem : a European journal of chemical physics and physical chemistry.

Modeling adsorption of brominated, chlorinated and mixed bromo/chloro-dibenzo-p-dioxins on C60 fullerene using Nano-QSPR

T. Puzyn, M. Haranczyk, Celina Sikorska, 2017, Beilstein Journal of Nanotechnology.

1H NMR characterisation of pore water in cement materials

A. Gajewicz, R. Morrell, P. McDonald, 2016 .