Antreas Afantitis

Frederick University — CY

Computer Science · Physical Sciences

41h-index5.1kcitations238works3.72yr avg
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Research Topics

Computational Drug Discovery Methods(77), Nanoparticles: synthesis and applications(42), Machine Learning in Materials Science(25), Chemistry and Chemical Engineering(13), Research Data Management Practices(12)

Publications238 total

FAIR metadata templates for chemicals and materials research - Presentation
OSF Preprints (OSF Preprints)·2026Open Access
Read-Across Structural Analysis of PFAS Acute Oral Toxicity in Rats Powered by the Isalos Analytics Platform’s Automated Machine Learning
Toxics·2026Open Access
Review on Predictive Models and Integration Strategies for Holistic Impact Assessment of Chemicals and Materials
Environmental Science & Technology·2026Open Access
Novel Dorsomorphin Derivatives: Molecular Modeling, Synthesis, and Bioactivity Evaluation
Biomolecules·2026Open Access
HydroNanoConstruct: A Web Application for Digital Construction, Crystal Growth Investigation, and Atomistic Descriptor Calculation of Hydrated Metal Oxide Nanoparticles Powered by the EosCloud Platform
Journal of Chemical Information and Modeling·2025Open Access
Challenges and Future Directions in Assessing the Quality and Completeness of Advanced Materials Safety Data for Re‐Usability: A Position Paper From the Nanosafety Community
Advanced Sustainable Systems·2025· 1 citedOpen Access
CRUSADE project: Recycling technologies for ELV components to create a sustainable source of market grade materials for EU applications
Computational and Structural Biotechnology Journal·2025Open Access
Rigorous data curation, enrichment and meta-analysis enable autoML prediction of plant length responses to nanoparticles powered by the Enalos Cloud platform
Environmental Science Nano·2025Open Access
FAIR data principles and AI ethics:Exploring convergence and gaps
University of Birmingham Research Portal (University of Birmingham)·2025Open Access
Unmasking metabolic disruptors: The NEMESIS project's quest for Novel Biomarkers, Evidence on Adverse Effects, and Efficient Methodologies
Open Research Europe·2025Open Access
Repurposing Drug Explorer (ReDEx): A Tool for Integrating Disease Networks, Drug Similarity Algorithms and Functional Exploration Powered by Enalos Cloud Platform
Journal of Molecular Biology·2025Open Access
nanoPharos: A case study on FAIR (Nano)material (Meta)data management
NanoImpact·2025Open Access
Atom-level descriptors and explainable prediction of iron carbide nanoparticles' cytotoxicity <i>via</i> the Enalos Cloud platform
Nanoscale Advances·2025Open Access
Application of CFD, statistical analysis and DoE for optimising H2 generation through ammonia borane catalytic hydrolysis: A novel approach for multiobjective optimisation
Chemical Engineering Journal·2025· 1 cited
An aerosolised dual-action Autotaxin inhibitor-PPARγ agonist for the treatment of pulmonary fibrosis
2025
BMDx2: A Tool for Integrating Toxicogenomics‐Based Dose‐Dependency Analysis and AOP‐Based Mechanistic Insights
Small Methods·2025· 1 citedOpen Access
Large Language Models Meet Molecules: A Systematic Review of Advances and Challenges in AI-Driven Cheminformatics
Archives of Computational Methods in Engineering·2025· 1 citedOpen Access
Assessment of the Binding Patterns for Endocrine Disrupting Chemicals in Complex with Estrogen and Androgen Receptors by Leveraging the Asclepios Enalos KNIME Nodes
Journal of Chemical Information and Modeling·2025Open Access
Utilization of ethnobotanical data to discover potent inhibitors of skin related enzymes through the application of in silico based methodology
Phytochemistry Letters·2025
EthnoHERBS: Conservation of european biodiversity through exploitation of traditional herbal knowledge for the development of innovative products
Phytochemistry Letters·2025
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Frequent Co-authors

Georgia Melagraki(47), Haralambos Sarimveis(24), Iseult Lynch(18), Olga Igglessi‐Markopoulou(15), Panayiotis A. Koutentis(10), Angela Serra(9), Anastasios G. Papadiamantis(9), Dario Greco(9), Andreas Tsoumanis(8), Tomasz Puzyn(8), George Kollias(7), Dimitra‐Danai Varsou(6), Eugenia Valsami‐Jones(6), Natasha Sanabria(6), Mary Gulumian(6), John Markopoulos(6), Michele Fratello(5), Philip Doganis(5), Irene Liampa(5), Pia Kinaret(5)