Agnieszka Gajewicz

Gdańsk University of Technology — Poland

Computer Science · Physical Sciences

31h-index3.8kcitations92works6.72yr avg
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Research Topics

Computational Drug Discovery Methods(46), Nanoparticles: synthesis and applications(34), Chemistry and Chemical Engineering(15), Machine Learning in Materials Science(12), Spectroscopy and Chemometric Analyses(10)

Publications92 total

The effects of surface termination, stoichiometry, and strain on the optical properties of bulk-like ZnSe/ZnS core–shell nanocrystals
Scientific Reports·2026Open Access
Decision Support System for Safe‐and‐Sustainable‐by‐Design Advanced Materials: Case Study Demonstration
Advanced Sustainable Systems·2025· 2 cited
Insights from core/shell ZnCuInS/ZnS nanocrystals, type-II confinement, and implications for the design of safer industrial nanocrystals
Scientific Reports·2025Open Access
Role of Structural Modifications in Peptidomimetic Compounds as Potential Antimicrobial Agents against <i>Staphylococcus aureus</i> and <i>Streptococcus pyogenes</i>: Balancing Bioavailability, Safety, and Antimicrobial Activity
ACS Omega·2025Open Access
Dynamic QSAR modeling for predicting in vivo genotoxicity and inflammation induced by nanoparticles and advanced materials: a time-dose-property/response approach
Journal of Nanobiotechnology·2025· 12 citedOpen Access
Author response for "Metal bioaccumulation prediction &lt;i&gt;via&lt;/i&gt; QSPR-q-RASPR synergy and cross-species risk analysis"
2025
The Impact of Carbon Nanotube Properties on Lung Pathologies and Atherosclerosis Through Acute Inflammation: a New AOP‐Anchored <i>in Silico</i> NAM
Small·2025· 8 citedOpen Access
Decision Support System for Safe-and-Sustainable-by-Design Advanced Materials: Case study demonstration    
2025· 3 cited
Decoding cyanide toxicity: Integrating Quantitative Structure-Toxicity Relationships (QSTR) with species sensitivity distributions and q-RASTR modeling
Ecotoxicology and Environmental Safety·2025· 8 citedOpen Access
Metal bioaccumulation prediction <i>via</i> QSPR-q-RASPR synergy and cross-species risk analysis
Green Chemistry·2025· 2 citedOpen Access
Hazard assessment of nanomaterials: how to meet the requirements for (next generation) risk assessment
Particle and Fibre Toxicology·2024· 12 citedOpen Access
Oxide-Perovskites for Automotive Catalysts Biotransform and Induce Multicomponent Clearance and Hazard
ACS Nano·2024· 7 citedOpen Access
Elucidation of molecular mechanisms involved in tadpole toxicity employing QSTR and q-RASAR approach
Aquatic Toxicology·2024· 4 citedOpen Access
Next Generation Risk Assessment approaches for advanced nanomaterials: Current status and future perspectives
NanoImpact·2024· 30 citedOpen Access
How to describe the time-dependent dissolution of engineered nanomaterials?
Computational and Structural Biotechnology Journal·2024· 5 citedOpen Access
Bioconcentration potential of ionic liquids: New data on membrane partitioning and its comparison with predictions obtained by COSMOmic
Biochimica et Biophysica Acta (BBA) - Biomembranes·2024· 3 cited
Predicting zeta potential of liposomes from their structure: A nano-QSPR model for DOPE, DC-Chol, DOTAP, and EPC formulations
Computational and Structural Biotechnology Journal·2024· 18 citedOpen Access
Similarity of multicomponent nanomaterials in a safer-by-design context: the case of core–shell quantum dots
Environmental Science Nano·2024· 10 citedOpen Access
Integrated Modeling of Organic Chemicals in Tadpole Ecotoxicological Assessment: Exploring Qstr, Q-Rasar, and Intelligent Consensus Prediction Techniques
SSRN Electronic Journal·2024· 3 citedOpen Access
A machine learning q‐RASPR approach for efficient predictions of the specific surface area of perovskites**
Molecular Informatics·2023· 30 cited
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Frequent Co-authors

Tomasz Puzyn(36), Jerzy Leszczyński(19), Bakhtiyor Rasulev(10), Danuta Leszczyńska(7), Kunal Roy(7), Alicja Mikołajczyk(5), M Cronin(5), Karolina Jagiełło(5), Supratik Kar(4), Natalia Sizochenko(4), Anita Sosnowska(4), Maciej Harańczyk(4), Piotr Urbaszek(3), Maciej Gromelski(3), Seishiro Hirano(3), Adriana Zaleska‐Medynska(3), Maciej Barycki(3), Lang Tran(3), Hiroshi Yamamoto(3), Noriyuki Suzuki(3)