NanoSolveIT Project: Driving nanoinformatics research to develop innovative and integrated tools for in silico nanosafety assessment

Antreas Afantitis , Georgia Melagraki , Panagiotis Isigonis , Andreas Tsoumanis , Dimitra Danai Varsou , Eugenia Valsami-Jones , Anastasios Papadiamantis , Laura-Jayne.A Ellis , Haralambos Sarimveis , Philip Doganis , Pantelis Karatzas , Periklis Tsiros , Irene Liampa , Vladimir Lobaskin , Dario Greco , Angela Serra , Pia Anneli Sofia Kinaret , Laura Aliisa Saarimäki , Roland Grafström , Pekka Kohonen , Penny Nymark , Egon Willighagen , Tomasz Puzyn , Anna Rybińska-Fryca , Alexander Lyubartsev , Keld Alstrup Jensen , Jan Gerit Brandenburg , Stephen Lofts , Claus Svendsen , Samuel Harrison , Dieter Maier , Kaido Tamm , Jaak Jänes , Lauri Sikk , Maria Dusinska , Eleonora Longhin , Elise Rundén-Pran , Espen Mariussen , Naouale El Yamani , Wolfgang Unger , Jörg Radnik , Alexander Tropsha , Yoram Cohen , Jerzy Leszczynski , Christine Ogilvie Hendren , Mark Wiesner , David Winkler , Noriyuki Suzuki , Tae Hyun Yoon , Jang-Sik Choi , Natasha Sanabria , Mary Gulumian , Iseult Lynch


Nanotechnology has enabled the discovery of a multitude of novel materials exhibiting unique physicochemical (PChem) properties compared to their bulk analogues. These properties have led to a rapidly increasing range of commercial applications; this, however, may come at a cost, if an association to long-term health and environmental risks is discovered or even just perceived. Many nanomaterials (NMs) have not yet had their potential adverse biological effects fully assessed, due to costs and time constraints associated with the experimental assessment, frequently involving animals. Here, the available NM libraries are analyzed for their suitability for integration with novel nanoinformatics approaches and for the development of NM specific Integrated Approaches to Testing and Assessment (IATA) for human and environmental risk assessment, all within the NanoSolveIT cloud-platform. These established and well-characterized NM libraries (e.g. NanoMILE, NanoSolutions, NANoREG, NanoFASE, caLIBRAte, NanoTEST and the Nanomaterial Registry (>2000 NMs)) contain physicochemical characterization data as well as data for several relevant biological endpoints, assessed in part using harmonized Organisation for Economic Co-operation and Development (OECD) methods and test guidelines. Integration of such extensive NM information sources with the latest nanoinformatics methods will allow NanoSolveIT to model the relationships between NM structure (morphology), properties and their adverse effects and to predict the effects of other NMs for which less data is available. The project specifically addressed the needs of regulatory agencies and industry to effectively and rapidly evaluate the exposure, NM hazard and risk from nanomaterials and nano-enabled products, enabling implementation of computational ‘safe-by-design’ approaches to facilitate NM commercialization.
Author Antreas Afantitis
Antreas Afantitis,,
, Georgia Melagraki
Georgia Melagraki,,
, Panagiotis Isigonis
Panagiotis Isigonis,,
, Andreas Tsoumanis
Andreas Tsoumanis,,
, Dimitra Danai Varsou
Dimitra Danai Varsou,,
, Eugenia Valsami-Jones
Eugenia Valsami-Jones,,
, Anastasios Papadiamantis
Anastasios Papadiamantis,,
, Laura-Jayne.A Ellis
Laura-Jayne.A Ellis,,
, Haralambos Sarimveis
Haralambos Sarimveis,,
, Philip Doganis
Philip Doganis,,
et al.`
Journal seriesComputational and Structural Biotechnology Journal, ISSN 2001-0370, e-ISSN 2001-0370, (N/A 100 pkt)
Issue year2020
Publication size in sheets0.95
Keywords in EnglishNanoinformatics, computational toxicology, hazard assessment, engineered nanomaterials, (quantitative) structure-activity relationships, integrated approach for testing and assessment, safe-by-design, machine learning, read across, toxicogenomics, predictive modelling
ASJC Classification1303 Biochemistry; 1304 Biophysics; 1305 Biotechnology; 1311 Genetics; 1315 Structural Biology; 1706 Computer Science Applications
Languageen angielski
LicenseJournal (articles only); published final; Uznanie Autorstwa (CC-BY); with publication
Score (nominal)100
Score sourcejournalList
ScoreMinisterial score = 100.0, 15-04-2020, ArticleFromJournal
Publication indicators Scopus SNIP (Source Normalised Impact per Paper): 2018 = 1.726; WoS Impact Factor: 2018 = 4.72 (2)
Citation count*2 (2020-05-28)
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