Machine learning predictions of concentration-specific aggregate hazard scores of inorganic nanomaterials in embryonic zebrafish von Gousiadou, C, Marchese Robinson, RL, Kotzabasaki, M, Doganis, P, Wilkins, TA, Jia, X, Sarimveis, H, Harper, SL

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The influence of solid state information and descriptor selection on statistical models of temperature dependent aqueous solubility von Marchese Robinson, RL, Roberts, KJ, Martin, EB

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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 von Marchese Robinson, RL, Geatches, D, Morris, C, Mackenzie, R, Maloney, AGP, Roberts, KJ, Moldovan, A, Chow, E, Pencheva, K, Vatvani, DRM

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Off-the-shelf DFT-DISPersion methods: Are they now "on-trend" for organic molecular crystals? von Geatches, D, Rosbottom, I, Marchese Robinson, RL, Byrne, P, Hasnip, P, Probert, MIJ, Jochym, D, Maloney, A, Roberts, KJ

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Comparison of the Predictive Performance and Interpretability of Random Forest and Linear Models on Benchmark Datasets von Marchese Robinson, RL, Palczewska, A, Palczewski, JA, Kidley, N

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Comparing the CORAL and Random Forest approaches for modelling the in vitro cytotoxicity of silica nanomaterials von Cassano, A, Marchese Robinson, RL, Palczewska, A, Puzyn, T, Gajewicz, A, Tran, L, Manganelli, S, Cronin, MTD

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An ISA-TAB-Nano based data collection framework to support data-driven modelling of nanotoxicology von Marchese Robinson, RL, Cronin, MTD, Richarz, A-N, Rallo, R

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Perspectives from the NanoSafety Modelling Cluster on the validation criteria for (Q)SAR models used in nanotechnology von Puzyn, T, Jeliazkova, N, Sarimveis, H, Marchese Robinson, RL, Lobaskin, V, Rallo, R, Richarz, A-N, Gajewicz, A, Papadopulos, MG, Hastings, J, Cronin, MTD, Benfenati, E, Fernández, A

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Integration among databases and data sets to support productive nanotechnology: Challenges and recommendations von 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, Hendren, CO

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