Livrables Websites, patent fillings, videos etc. (3) 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 Documents, reports (4) 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 Publications Peer reviewed articles (15) Monte Carlo-based quantitative structure-activity relationship models for toxicity of organic chemicals to Daphnia magna Auteurs: Alla P. Toropova, Andrey A. Toropov, Aleksandar M. Veselinović, Jovana B. Veselinović, Danuta Leszczynska, Jerzy Leszczynski Publié dans: Environmental Toxicology and Chemistry, Issue 35/11, 2016, Page(s) 2691-2697, ISSN 0730-7268 Éditeur: Society of Environmental Toxicology and Chemistry DOI: 10.1002/etc.3466 CORAL: Binary classifications (active/inactive) for drug-induced liver injury Auteurs: Alla P. Toropova, Andrey A. Toropov Publié dans: Toxicology Letters, Issue 268, 2017, Page(s) 51-57, ISSN 0378-4274 Éditeur: Elsevier BV DOI: 10.1016/j.toxlet.2017.01.011 Monte Carlo method for predicting of cardiac toxicity: hERG blocker compounds Auteurs: Marco Gobbi, Marten Beeg, Mariya A. Toropova, Andrey A. Toropov, Mario Salmona Publié dans: Toxicology Letters, Issue 250-251, 2016, Page(s) 42-46, ISSN 0378-4274 Éditeur: 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 Auteurs: Océane Alliod, Jean-Pierre Valour, Sébastien Urbaniak, Hatem Fessi, Damien Dupin, Catherine Charcosset Publié dans: Colloids and Surfaces A: Physicochemical and Engineering Aspects, Issue 557, 2018, Page(s) 76-84, ISSN 0927-7757 Éditeur: Elsevier BV DOI: 10.1016/j.colsurfa.2018.04.045 Odor threshold prediction by means of the Monte Carlo method Auteurs: Andrey A. Toropov, Alla P. Toropova, Luigi Cappellini, Emilio Benfenati, Enrico Davoli Publié dans: Ecotoxicology and Environmental Safety, Issue 133, 2016, Page(s) 390-394, ISSN 0147-6513 Éditeur: Academic Press DOI: 10.1016/j.ecoenv.2016.07.039 The Utilization of the Monte Carlo Technique for Rational Drug Discovery Auteurs: Mariya A. Toropova, Ivan RaŠka, Andrey A. Toropov, Mária RaŠková Publié dans: Combinatorial Chemistry & High Throughput Screening, Issue 19/8, 2016, Page(s) 676-687, ISSN 1386-2073 Éditeur: Bentham Science Publishers DOI: 10.2174/1386207319666160725145852 CORAL Software: Analysis of Impacts of Pharmaceutical Agents Upon Metabolism via the Optimal Descriptors Auteurs: Mariya A. Toropova, Ivan Raska Jr, Alla P. Toporova, Maria Raskova Publié dans: Current Drug Metabolism, Issue 18/6, 2017, ISSN 1389-2002 Éditeur: 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 Auteurs: Alla P. Toropova, Andrey A. Toropov, Marten Beeg, Marco Gobbi, Mario Salmona Publié dans: Current Drug Discovery Technologies, Issue 14/4, 2017, ISSN 1570-1638 Éditeur: 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 Auteurs: A. A. Toropov, A. P. Toropova, S. Begum, P. G. R. Achary Publié dans: SAR and QSAR in Environmental Research, Issue 27/4, 2016, Page(s) 293-301, ISSN 1062-936X Éditeur: Taylor & Francis DOI: 10.1080/1062936X.2016.1172666 Quasi-SMILES and nano-QFPR: The predictive model for zeta potentials of metal oxide nanoparticles Auteurs: Andrey A. Toropov, P. Ganga Raju Achary, Alla P. Toropova Publié dans: Chemical Physics Letters, Issue 660, 2016, Page(s) 107-110, ISSN 0009-2614 Éditeur: 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 Auteurs: Alla P. Toropova, Andrey A. Toropov, Serena Manganelli, Caterina Leone, Diego Baderna, Emilio Benfenati, Roberto Fanelli Publié dans: NanoImpact, Issue 1, 2016, Page(s) 60-64, ISSN 2452-0748 Éditeur: Elsevier DOI: 10.1016/j.impact.2016.04.003 The Monte Carlo technique as a tool to predict LOAEL Auteurs: Jovana B. Veselinović, Aleksandar M. Veselinović, Alla P. Toropova, Andrey A. Toropov Publié dans: European Journal of Medicinal Chemistry, Issue 116, 2016, Page(s) 71-75, ISSN 0223-5234 Éditeur: 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 ) Auteurs: Alla P. Toropova, Andrey A. Toropov, Danuta Leszczynska, Jerzy Leszczynski Publié dans: Ecotoxicology and Environmental Safety, Issue 139, 2017, Page(s) 404-407, ISSN 0147-6513 Éditeur: 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 Auteurs: Alla P. Toropova, Andrey A. Toropov Publié dans: Journal of Theoretical Biology, Issue 416, 2017, Page(s) 113-118, ISSN 0022-5193 Éditeur: 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 Auteurs: P. Ganga Raju Achary, Sanija Begum, Alla P. Toropova, Andrey A. Toropov Publié dans: Materials Discovery, Issue 5, 2016, Page(s) 22-28, ISSN 2352-9245 Éditeur: Elsevier DOI: 10.1016/j.md.2016.12.003 Book chapters (2) Development of Monte Carlo Approaches in Support of Environmental Research Auteurs: Alla P. Toropova, Andrey A. Toropov, Emilio Benfenati, Robert Rallo, Danuta Leszczynska, Jerzy Leszczynski Publié dans: Advances in QSAR Modeling, Issue 24, 2017, Page(s) 453-469, ISBN 978-3-319-56849-2 Éditeur: Springer International Publishing DOI: 10.1007/978-3-319-56850-8_12 Quasi-SMILES as a Novel Tool for Prediction of Nanomaterials′ Endpoints Auteurs: A.P. Toropova, A.A. Toropov, A.M. Veselinović, J.B. Veselinović, D. Leszczynska, J. Leszczynski Publié dans: Multi-Scale Approaches in Drug Discovery, 2017, Page(s) 191-221, ISBN 9780-081011294 Éditeur: Elsevier DOI: 10.1016/B978-0-08-101129-4.00008-4 Non-peer reviewed articles (2) Quasi-SMILES for Nano-QSAR Prediction of Toxic Effect of Al2O3 Nanoparticles Auteurs: Alla P. Toropova, P. Ganga Raju Achary, Andrey A. Toropov Publié dans: Journal of Nanotoxicology and Nanomedicine, Issue 1 10.4018/JNN.2016 http://services.igi-global.com/resolvedoi/resolve.aspx?doi=10.4018/JNN.2016/1, 2016, Page(s) 17-28, ISSN 2379-7452 Éditeur: IGI Publishing DOI: 10.4018/JNN.2016010102 Assessment of nano-QSPR models of organic contaminant absorption by carbon nanotubes for ecological impact studies Auteurs: Alla P. Toropova, Andrey A. Toropov Publié dans: Materials Discovery, Issue 4, 2016, Page(s) 22-28, ISSN 2352-9245 Éditeur: Elsevier DOI: 10.1016/j.md.2016.03.003 Recherche de données OpenAIRE... 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