in3logo An integrated interdisciplinary approach to animal-free nanomaterial and chemical safety assessment.

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The in3 project is funded by the EU's Marie Sklodowska-Curie Action - Innovative Training Network (MSCA-ITN for short) that aims to drive the synergistic development and utilisation of in vitro and in silico tools for human chemical and nanomaterial (NM) safety assessment.

December 14th and 15th 2020 virtual meeting

To communicate with us please follow the link to our slack workspace [in3 Slack].




The bosses

Due to the technical incompetence of the coordinator some of these videos are split in 2 and even 3.

  • Vidya (PTL) and Leonies (lung/macrophages) videos will be uploaded after clearance.

  • The Entertainment

    Panienki featuring Thomas Morzewski

    Discussions a contemplations


    Here are our dedicated, motivated, dynamic, intelligent, smart, early stage researchers.

    Coordinator: Prof. Dr. Paul Jennings
    Training coordinator: Dr. Maxime Culot
    Project manager: Dr. Ellen Langemeijer


      in3 Publications

    The following are the in3 peer reviewed papers we have to date. But we have a lot more on the way and we will have a special issue soon in Toxicology in vitro.

     Homology Modeling of the Human P-glycoprotein (ABCB1) and Insights into Ligand Binding through Molecular Docking Studies. Mora Lagares L, Minovski N, Caballero Alfonso AY, Benfenati E, Wellens S, Culot M, Gosselet F, Novič M.
    Int J Mol Sci. 2020 Jun 5;21(11):4058. doi: 10.3390/ijms21114058. PMID: 32517082

    Quantitative adverse outcome pathway (qAOP) models for toxicity prediction. Spinu, N., Cronin, M., Enoch, S. J., Madden, J. C., & Worth, A. P. (2020). Archives of toxicology94(5), 1497–1510.

    SAR and QSAR modeling of a large collection of LD50 rat acute oral toxicity data.Gadaleta, D., Vuković, K., Toma, C. et al. SAR and  J Cheminform 11, 58 (2019).

     Methodology of aiQSAR: a group-specific approach to QSAR modelling. Vukovic K, Gadaleta D, Benfenati E. J Cheminform. 2019 Apr 3;11(1):27. doi: 10.1186/s13321-019-0350-y. PMID: 30945010 

    Towards an Understanding of the Mode of Action of Human Aromatase Activity for Azoles Through Quantum Chemical Descriptors-Based Regression and Structure Activity Relationship Modeling Analysis. Chayawan Chayawan, Cosimo Toma, Emilio Benfenati, Ana Y Caballero Alfonso. DOI: 10.3390/molecules25030739

    Spinu, N., Bal-Price, A., Cronin, M. T. D., Enoch, S. J., Madden, J. C., & Worth, A. P. (2019). Development and analysis of an adverse outcome pathway network for human neurotoxicity. Archives of Toxicology. doi:10.1007/s00204-019-02551-1

    Caballero-Alfonso, A. Y., Cruz-Monteagudo, M., Tejera, E., Benfenati, E., Borges, F., Cordeiro, M. N. D. S., . . . Perez-Castillo, Y. (2019). Ensemble-based modeling of chemical compounds with antimalarial activity. Current Topics in Medicinal Chemistry, 19(11), 957-969. doi:10.2174/1568026619666190510100313

    Lagares, L. M., Minovski, N., & Novič, M. (2019). Multiclass classifier for P-glycoprotein substrates, inhibitors, and non-active compounds. Molecules, 24(10). doi:10.3390/molecules24102006

    Rauch, C., Feifel, E., Kern, G., Murphy, C., Meier, F., Parson, W., . . . Wilmes, A. (2018). Differentiation of human iPSCs into functional podocytes. PLoS ONE, 13(9). doi:10.1371/journal.pone.0203869

      in3 dissemination and training

    See our very active twitter feed for dissemination actions . Below are a few higlights.

    in3 is funded by the Marie Sklodowska-Curie Action - Innovative Training Network under grant no. 721975.