Design of polyPEPTIdes diblock copolymers as emulsifiers to produce safe, controlled and reliable novel stimuli-responsive nanoCAPSules for skin care applications

Resultado final

New CORAL models available on the CORAL website

Implementation of the new software to the CORAL website

Project website
Visual identity, including Brochure, presentation, poster, leaflet

Dissemination strategy
Open access summary report
Master document with all data required for nanomaterials for product registration and validation

Document template with all the requirements to assess the safety of ENM

Report on pre-normative solution for standardization of identified gaps

Report that describes suitable solutions for the standardization of the characterization of smart ENM that will be submitted to ESN to establish new norms and protocols for these new materials

Publicaciones

Monte Carlo-based quantitative structure-activity relationship models for toxicity of organic chemicals to Daphnia magna

Autores: Alla P. Toropova, Andrey A. Toropov, Aleksandar M. Veselinović, Jovana B. Veselinović, Danuta Leszczynska, Jerzy Leszczynski
Publicado en: Environmental Toxicology and Chemistry, Edición 35/11, 2016, Página(s) 2691-2697, ISSN 0730-7268
Editor: Society of Environmental Toxicology and Chemistry
DOI: 10.1002/etc.3466

CORAL: Binary classifications (active/inactive) for drug-induced liver injury

Autores: Alla P. Toropova, Andrey A. Toropov
Publicado en: Toxicology Letters, Edición 268, 2017, Página(s) 51-57, ISSN 0378-4274
Editor: Elsevier BV
DOI: 10.1016/j.toxlet.2017.01.011

Monte Carlo method for predicting of cardiac toxicity: hERG blocker compounds

Autores: Marco Gobbi, Marten Beeg, Mariya A. Toropova, Andrey A. Toropov, Mario Salmona
Publicado en: Toxicology Letters, Edición 250-251, 2016, Página(s) 42-46, ISSN 0378-4274
Editor: Elsevier BV
DOI: 10.1016/j.toxlet.2016.04.010

Preparation of oil-in-water nanoemulsions at large-scale using premix membrane emulsification and Shirasu Porous Glass (SPG) membranes

Autores: Océane Alliod, Jean-Pierre Valour, Sébastien Urbaniak, Hatem Fessi, Damien Dupin, Catherine Charcosset
Publicado en: Colloids and Surfaces A: Physicochemical and Engineering Aspects, Edición 557, 2018, Página(s) 76-84, ISSN 0927-7757
Editor: Elsevier BV
DOI: 10.1016/j.colsurfa.2018.04.045

Odor threshold prediction by means of the Monte Carlo method

Autores: Andrey A. Toropov, Alla P. Toropova, Luigi Cappellini, Emilio Benfenati, Enrico Davoli
Publicado en: Ecotoxicology and Environmental Safety, Edición 133, 2016, Página(s) 390-394, ISSN 0147-6513
Editor: Academic Press
DOI: 10.1016/j.ecoenv.2016.07.039

The Utilization of the Monte Carlo Technique for Rational Drug Discovery

Autores: Mariya A. Toropova, Ivan RaŠka, Andrey A. Toropov, Mária RaŠková
Publicado en: Combinatorial Chemistry & High Throughput Screening, Edición 19/8, 2016, Página(s) 676-687, ISSN 1386-2073
Editor: Bentham Science Publishers
DOI: 10.2174/1386207319666160725145852

CORAL Software: Analysis of Impacts of Pharmaceutical Agents Upon Metabolism via the Optimal Descriptors

Autores: Mariya A. Toropova, Ivan Raska Jr, Alla P. Toporova, Maria Raskova
Publicado en: Current Drug Metabolism, Edición 18/6, 2017, ISSN 1389-2002
Editor: Bentham Science Publishers
DOI: 10.2174/1389200218666170301105916

Utilization of the Monte Carlo Method to Build up QSAR Models for Hemolysis and Cytotoxicity of Antimicrobial Peptides

Autores: Alla P. Toropova, Andrey A. Toropov, Marten Beeg, Marco Gobbi, Mario Salmona
Publicado en: Current Drug Discovery Technologies, Edición 14/4, 2017, ISSN 1570-1638
Editor: Bentham Science Publishers
DOI: 10.2174/1570163814666170525114128

Towards predicting the solubility of CO 2 and N 2 in different polymers using a quasi-SMILES based QSPR approach

Autores: A. A. Toropov, A. P. Toropova, S. Begum, P. G. R. Achary
Publicado en: SAR and QSAR in Environmental Research, Edición 27/4, 2016, Página(s) 293-301, ISSN 1062-936X
Editor: Taylor & Francis
DOI: 10.1080/1062936X.2016.1172666

Quasi-SMILES and nano-QFPR: The predictive model for zeta potentials of metal oxide nanoparticles

Autores: Andrey A. Toropov, P. Ganga Raju Achary, Alla P. Toropova
Publicado en: Chemical Physics Letters, Edición 660, 2016, Página(s) 107-110, ISSN 0009-2614
Editor: Elsevier BV
DOI: 10.1016/j.cplett.2016.08.018

Quasi-SMILES as a tool to utilize eclectic data for predicting the behavior of nanomaterials

Autores: Alla P. Toropova, Andrey A. Toropov, Serena Manganelli, Caterina Leone, Diego Baderna, Emilio Benfenati, Roberto Fanelli
Publicado en: NanoImpact, Edición 1, 2016, Página(s) 60-64, ISSN 2452-0748
Editor: Elsevier
DOI: 10.1016/j.impact.2016.04.003

The Monte Carlo technique as a tool to predict LOAEL

Autores: Jovana B. Veselinović, Aleksandar M. Veselinović, Alla P. Toropova, Andrey A. Toropov
Publicado en: European Journal of Medicinal Chemistry, Edición 116, 2016, Página(s) 71-75, ISSN 0223-5234
Editor: Elsevier BV
DOI: 10.1016/j.ejmech.2016.03.075

CORAL and Nano-QFAR: Quantitative feature – Activity relationships (QFAR) for bioavailability of nanoparticles (ZnO, CuO, Co 3 O 4 , and TiO 2 )

Autores: Alla P. Toropova, Andrey A. Toropov, Danuta Leszczynska, Jerzy Leszczynski
Publicado en: Ecotoxicology and Environmental Safety, Edición 139, 2017, Página(s) 404-407, ISSN 0147-6513
Editor: Academic Press
DOI: 10.1016/j.ecoenv.2017.01.054

Nano-QSAR in cell biology: Model of cell viability as a mathematical function of available eclectic data

Autores: Alla P. Toropova, Andrey A. Toropov
Publicado en: Journal of Theoretical Biology, Edición 416, 2017, Página(s) 113-118, ISSN 0022-5193
Editor: Academic Press
DOI: 10.1016/j.jtbi.2017.01.012

A quasi-SMILES based QSPR Approach towards the prediction of adsorption energy of Ziegler − Natta catalysts for propylene polymerization

Autores: P. Ganga Raju Achary, Sanija Begum, Alla P. Toropova, Andrey A. Toropov
Publicado en: Materials Discovery, Edición 5, 2016, Página(s) 22-28, ISSN 2352-9245
Editor: Elsevier
DOI: 10.1016/j.md.2016.12.003

Development of Monte Carlo Approaches in Support of Environmental Research

Autores: Alla P. Toropova, Andrey A. Toropov, Emilio Benfenati, Robert Rallo, Danuta Leszczynska, Jerzy Leszczynski
Publicado en: Advances in QSAR Modeling, Edición 24, 2017, Página(s) 453-469, ISBN 978-3-319-56849-2
Editor: Springer International Publishing
DOI: 10.1007/978-3-319-56850-8_12

Quasi-SMILES as a Novel Tool for Prediction of Nanomaterials′ Endpoints

Autores: A.P. Toropova, A.A. Toropov, A.M. Veselinović, J.B. Veselinović, D. Leszczynska, J. Leszczynski
Publicado en: Multi-Scale Approaches in Drug Discovery, 2017, Página(s) 191-221, ISBN 9780-081011294
Editor: Elsevier
DOI: 10.1016/B978-0-08-101129-4.00008-4

Quasi-SMILES for Nano-QSAR Prediction of Toxic Effect of Al2O3 Nanoparticles

Autores: Alla P. Toropova, P. Ganga Raju Achary, Andrey A. Toropov
Publicado en: Journal of Nanotoxicology and Nanomedicine, Edición 1 10.4018/JNN.2016 http://services.igi-global.com/resolvedoi/resolve.aspx?doi=10.4018/JNN.2016/1, 2016, Página(s) 17-28, ISSN 2379-7452
Editor: IGI Publishing
DOI: 10.4018/JNN.2016010102

Assessment of nano-QSPR models of organic contaminant absorption by carbon nanotubes for ecological impact studies

Autores: Alla P. Toropova, Andrey A. Toropov
Publicado en: Materials Discovery, Edición 4, 2016, Página(s) 22-28, ISSN 2352-9245
Editor: Elsevier
DOI: 10.1016/j.md.2016.03.003

Resultado final

Publicaciones

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