Machine learning and materials modelling interpretation of in vivo toxicological response to TiO2 nanoparticles library (UV and non-UV exposure)

Author:

Gomes Susana I. L.1ORCID,Amorim Mónica J. B.1ORCID,Pokhrel Suman23ORCID,Mädler Lutz23ORCID,Fasano Matteo4ORCID,Chiavazzo Eliodoro4ORCID,Asinari Pietro45ORCID,Jänes Jaak6,Tämm Kaido6ORCID,Burk Jaanus6,Scott-Fordsmand Janeck J.7

Affiliation:

1. Department of Biology & CESAM, University of Aveiro, 3810-193 Aveiro, Portugal

2. Department of Production Engineering, University of Bremen, Badgasteiner Str. 1, 28359 Bremen, Germany

3. Leibniz Institute for Materials Engineering IWT, Badgasteiner Str. 3, 28359 Bremen, Germany

4. Energy Department, Politecnico di Torino, Corso Duca degli Abruzzi 24, Torino 10129, Italy

5. INRIM, Istituto Nazionale di Ricerca Metrologica, Strada delle Cacce 91, Torino 10135, Italy

6. Department of Chemistry, University of Tartu, Ravila 14a, Tartu 50411, Estonia

7. Department of Bioscience, Aarhus University, Vejlsovej 25, PO BOX 314, DK-8600 Silkeborg, Denmark

Abstract

Based on a highly detailed materials characterisation database (including atomistic and multiscale modelling), single and univariate statistical methods, combined with machine learning techniques, revealed key descriptors of biological functions.

Funder

European Regional Development Fund

Horizon 2020 Framework Programme

Fundação para a Ciência e a Tecnologia

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science

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