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Combinatorial Chemistry & High Throughput Screening

Editor-in-Chief

ISSN (Print): 1386-2073
ISSN (Online): 1875-5402

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Editorial

Nanoinformatics: Artificial Intelligence and Nanotechnology in the New Decade

Author(s): Antreas Afantitis

Volume 23, Issue 1, 2020

Page: [4 - 5] Pages: 2

DOI: 10.2174/138620732301200316112000

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[2]
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Leung, C-H.; Chan, D.S-H.; Kwan, M.H-T.; Cheng, Z.; Wong, C-Y.; Zhu, G-Y.; Fong, W-F.; Ma, D-L. Structure-based repurposing of FDA-approved drugs as TNF-α inhibitors. ChemMedChem, 2011, 6(5), 765-768.
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Melagraki, G.; Ntougkos, E.; Rinotas, V.; Papaneophytou, C.; Leonis, G.; Mavromoustakos, T.; Kontopidis, G.; Douni, E.; Afantitis, A.; Kollias, G. Cheminformatics-aided discovery of small-molecule Protein-Protein Interaction (PPI) dual inhibitors of Tumor Necrosis Factor (TNF) and Receptor Activator of NF-κB Ligand (RANKL). PLOS Comput. Biol., 2017, 13(4)e1005372
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Melagraki, G.; Ntougkos, E.; Papadopoulou, D.; Rinotas, V.; Leonis, G.; Douni, E. … Kollias, G. In silico discovery of plant-origin natural product inhibitors of tumor necrosis factor (TNF) and receptor activator of NF-κB ligand (RANKL). Front. Pharmacol., 2018, 9, 800.
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Freedman, D.H. Hunting for new drugs with AI. Nature, 2019, 576, S49-S53.
[http://dx.doi.org/10.1038/d41586-019-03846-0]
[8]
Afantitis, A.; Melagraki, G.; Tsoumanis, A.; Valsami-Jones, E.; Lynch, I. A nanoinformatics decision support tool for the virtual screening of gold nanoparticle cellular association using protein corona fingerprints. Nanotoxicology, 2018, 12(10), 1148-1165.
[http://dx.doi.org/10.1080/17435390.2018.1504998]
[9]
Gajewicz, A.; Puzyn, T.; Odziomek, K.; Urbaszek, P.; Haase, A.; Riebeling, C.; Luch, A.; Irfan, M.A.; Landsiedel, R.; van der Zande, M.; Bouwmeester, H. Decision tree models to classify nanomaterials according to the DF4nanoGrouping scheme. Nanotoxicology, 2018, 12(1), 1-17.
[http://dx.doi.org/10.1080/17435390.2017.1415388]
[10]
Marchese Robinson, R.L.; Lynch, I.; Peijnenburg, W.; Rumble, J.; Klaessig, F.; Marquardt, C.; Rauscher, H.; Puzyn, T.; Purian, R.; Åberg, C.; Karcher, S.; Vriens, H.; Hoet, P.; Hoover, M.D.; Hendren, C.O.; Harper, S.L. How should the completeness and quality of curated nanomaterial data be evaluated? Nanoscale, 2016, 8(19), 9919-9943.
[http://dx.doi.org/10.1039/C5NR08944A]
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Tämm, K.; Sikk, L.; Burk, J.; Rallo, R.; Pokhrel, S.; Mädler, L.; Scott-Fordsmand, J.J.; Burka, P.; Tamm, T. Parametrization of nanoparticles: development of full-particle nanodescriptors. Nanoscale, 2016, 8(36), 16243-16250.
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[13]
Varsou, D-D.; Afantitis, A.; Tsoumanis, A.; Melagraki, G.; Sarimveis, H.; Valsami-Jones, E.; Lynch, I. A safe-by-design tool for functionalised nanomaterials through the enalos nanoinformatics cloud platform. Nanoscale Advances, 2019, 1(2), 706-718.
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Kluender, E.J.; Hedrick, J.L.; Brown, K.A.; Rao, R.; Meckes, B.; Du, J.S.; Moreau, L.M.; Maruyama, B.; Mirkin, C.A. Catalyst discovery through megalibraries of nanomaterials. Proc. Natl. Acad. Sci. USA, 2019, 116(1), 40-45.
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Lopez, H.; Brandt, E.G.; Mirzoev, A.; Zhurkin, D.; Lyubartsev, A.; Lobaskin, V. Multiscale Modelling of Bionano Interface. In: Advances in Experimental Medicine and Biology., Tran, L.; Bañares, M.A.; Rallo, R.; Eds., . 2017, Vol. 947, pp. 173-206.
[http://dx.doi.org/10.1007/978-3-319-47754-1_7]

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