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Evaluation of Force-Field Calculations of Lattice Energies on a Large Public Dataset, Assessment of Pharmaceutical Relevance, and Comparison to Density Functional Theory.
Marchese Robinson RL, Geatches D, Morris C, Mackenzie R, Maloney AGP, Roberts KJ, Moldovan A, Chow E, Pencheva K, Vatvani DRM. Marchese Robinson RL, et al. J Chem Inf Model. 2019 Nov 25;59(11):4778-4792. doi: 10.1021/acs.jcim.9b00601. Epub 2019 Nov 1. J Chem Inf Model. 2019. PMID: 31638394 Free article.
Perspectives from the NanoSafety Modelling Cluster on the validation criteria for (Q)SAR models used in nanotechnology.
Puzyn T, Jeliazkova N, Sarimveis H, Marchese Robinson RL, Lobaskin V, Rallo R, Richarz AN, Gajewicz A, Papadopulos MG, Hastings J, Cronin MTD, Benfenati E, Fernández A. Puzyn T, et al. Among authors: marchese robinson rl. Food Chem Toxicol. 2018 Feb;112:478-494. doi: 10.1016/j.fct.2017.09.037. Epub 2017 Sep 21. Food Chem Toxicol. 2018. PMID: 28943385 Free article.
How should the completeness and quality of curated nanomaterial data be evaluated?
Marchese Robinson RL, 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 MD, Hendren CO, Harper SL. Marchese Robinson RL, et al. Nanoscale. 2016 May 21;8(19):9919-43. doi: 10.1039/c5nr08944a. Epub 2016 May 4. Nanoscale. 2016. PMID: 27143028 Free PMC article.
Integration among databases and data sets to support productive nanotechnology: Challenges and recommendations.
Karcher S, Willighagen EL, Rumble J, Ehrhart F, Evelo CT, Fritts M, Gaheen S, Harper SL, Hoover MD, Jeliazkova N, Lewinski N, Marchese Robinson RL, Mills KC, Mustad AP, Thomas DG, Tsiliki G, Ogilvie Hendren C. Karcher S, et al. Among authors: marchese robinson rl. NanoImpact. 2018 Jan;9:85-101. doi: 10.1016/j.impact.2017.11.002. NanoImpact. 2018. PMID: 30246165 Free PMC article.
14 results