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.
1. Wellens, S., Dehouck, L., Chandrasekaran, V., Singh, P., Loiola, R.A., Sevin, E., Exner, T., Jennings, P., Gosselet, F., Culot, M.: Evaluation of a human iPSC-derived BBB model for repeated dose toxicity testing with cyclosporine A as model compound. Toxicol. Vitr. 73, (2021). https://doi.org/10.1016/j.tiv.2021.105112
2. Gadaleta, D., Vuković, K., Toma, C., Lavado, G.J., Karmaus, A.L., Mansouri, K., Kleinstreuer, N.C., Benfenati, E., Roncaglioni, A.: SAR and QSAR modeling of a large collection of LD50 rat acute oral toxicity data. J. Cheminform. 11, (2019). https://doi.org/10.1186/s13321-019-0383-2
3. Rauch, C., Feifel, E., Kern, G., Murphy, C., Meier, F., Parson, W., Beilmann, M., Jennings, P., Gstraunthaler, G., Wilmes, A.: Differentiation of human iPSCs into functional podocytes. PLoS One. 13, (2018). https://doi.org/10.1371/journal.pone.0203869
4. Spinu, N., Bal-Price, A., Cronin, M.T.D., Enoch, S.J., Madden, J.C., Worth, A.P.: Development and analysis of an adverse outcome pathway network for human neurotoxicity. Arch. Toxicol. 93, 2759–2772 (2019). https://doi.org/10.1007/s00204-019-02551-1
5. Lagares, L.M., Minovski, N., Alfonso, A.Y.C., Benfenati, E., Wellens, S., Culot, M., Gosselet, F., Novič, M.: Homology modeling of the human p-glycoprotein (Abcb1) and insights into ligand binding through molecular docking studies. Int. J. Mol. Sci. 21, 1–37 (2020). https://doi.org/10.3390/ijms21114058
6. Lagares, L.M., Minovski, N., Novič, M.: Multiclass classifier for P-glycoprotein substrates, inhibitors, and non-active compounds. Molecules. 24, (2019). https://doi.org/10.3390/molecules24102006
7. Proença, S., Escher, B.I., Fischer, F.C., Fisher, C., Grégoire, S., Hewitt, N.J., Nicol, B., Paini, A., Kramer, N.I.: Effective exposure of chemicals in in vitro cell systems: A review of chemical distribution models. Toxicol. Vitr. 105133 (2021). https://doi.org/10.1016/j.tiv.2021.105133
8. Spinu, N., Cronin, M.T.D., Enoch, S.J., Madden, J.C., Worth, A.P.: Quantitative adverse outcome pathway (qAOP) models for toxicity prediction, (2020)
9. Vukovic, K., Gadaleta, D., Benfenati, E.: Methodology of AiQSAr: A group-specific approach to QSAR modelling. J. Cheminform. 11, (2019). https://doi.org/10.1186/s13321-019-0350-y
10. Caballero-Alfonso, A.Y., Cruz-Monteagudo, M., Tejera, E., Benfenati, E., Borges, F., Cordeiro, M.N.D.S., Armijos-Jaramillo, V., Perez-Castillo, Y.: Ensemble-Based Modeling of Chemical Compounds with Antimalarial Activity. Curr. Top. Med. Chem. 19, 957–969 (2019). https://doi.org/10.2174/1568026619666190510100313
11. Spinu, N., Cronin, M.T.D., Enoch, S.J., Madden, J.C., Worth, A.P.: Quantitative adverse outcome pathway (qAOP) models for toxicity prediction, (2020)
12. Chayawan, C., Toma, C., Benfenati, E., Caballero Alfonso, A.Y.: 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. Molecules. 25, (2020). https://doi.org/10.3390/molecules25030739
13. Rauch, C., Feifel, E., Kern, G., Murphy, C., Meier, F., Parson, W., Beilmann, M., Jennings, P., Gstraunthaler, G., Wilmes, A.: Differentiation of human iPSCs into functional podocytes. PLoS One. 13, (2018). https://doi.org/10.1371/journal.pone.0203869
14. Spinu, N., Bal-Price, A., Cronin, M.T.D., Enoch, S.J., Madden, J.C., Worth, A.P.: Development and analysis of an adverse outcome pathway network for human neurotoxicity. Arch. Toxicol. 93, 2759–2772 (2019). https://doi.org/10.1007/s00204-019-02551-1
15. Lagares, L.M., Minovski, N., Alfonso, A.Y.C., Benfenati, E., Wellens, S., Culot, M., Gosselet, F., Novič, M.: Homology modeling of the human p-glycoprotein (Abcb1) and insights into ligand binding through molecular docking studies. Int. J. Mol. Sci. 21, 1–37 (2020). https://doi.org/10.3390/ijms21114058
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