Computational Tool for Risk Assessment of Nanomaterials: Novel QSTR-Perturbation Model for Simultaneous Prediction of Ecotoxicity and Cytotoxicity of Uncoated and Coated Nanopartic... von Kleandrova, Valeria V, Luan, Feng, González-Díaz, Humberto, Ruso, Juan M, Speck-Planche, Alejandro, Cordeiro, M. Natália D. S

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New Workflow for QSAR Model Development from Small Data Sets: Small Dataset Curator and Small Dataset Modeler. Integration of Data Curation, Exhaustive Double Cross-Validation, and... von Ambure, Pravin, Gajewicz-Skretna, Agnieszka, Cordeiro, M. Natalia D. S, Roy, Kunal

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In Silico Modeling and Structural Analysis of Soluble Epoxide Hydrolase Inhibitors for Enhanced Therapeutic Design von Sar, Shuvam, Mitra, Soumya, Panda, Parthasarathi, Mandal, Subhash C, Ghosh, Nilanjan, Halder, Amit Kumar, Cordeiro, Maria Natalia D. S

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Density of Deep Eutectic Solvents: The Path Forward Cheminformatics-Driven Reliable Predictions for Mixtures von Halder, Amit Kumar, Haghbakhsh, Reza, Voroshylova, Iuliia V., Duarte, Ana Rita C., Cordeiro, M. Natalia D. S.

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Improving Vibrational Mode Interpretation Using Bayesian Regression von Teixeira, Filipe, Cordeiro, M. Natália D. S

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QSAR-Co: An Open Source Software for Developing Robust Multitasking or Multitarget Classification-Based QSAR Models von Ambure, Pravin, Halder, Amit Kumar, González Díaz, Humbert, Cordeiro, M. Natália D. S

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Desalination at overlimiting currents: State-of-the-art and perspectives von Nikonenko, Victor V., Kovalenko, Anna V., Urtenov, Mahamet K., Pismenskaya, Natalia D., Han, Jongyoon, Sistat, Philippe, Pourcelly, Gérald

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Skin Damage Mechanisms Related to Airborne Particulate Matter Exposure von Magnani, Natalia D, Muresan, Ximena M, Belmonte, Giuseppe, Cervellati, Franco, Sticozzi, Claudia, Pecorelli, Alessandra, Miracco, Clelia, Marchini, Timoteo, Evelson, Pablo, Valacchi, Giuseppe

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Shaping the Future of Obesity Treatment: In Silico Multi-Modeling of IP6K1 Inhibitors for Obesity and Metabolic Dysfunction von Mondal, Ismail, Halder, Amit Kumar, Pattanayak, Nirupam, Mandal, Sudip Kumar, Cordeiro, Maria Natalia D S

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Renewable Formate from C–H Bond Formation with CO2: Using Iron Carbonyl Clusters as Electrocatalysts von Loewen, Natalia D, Neelakantan, Taruna V, Berben, Louise A

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Extremely rapid maternal photoperiodic response in Trichogramma telengai: A fine-scale study von Reznik, Sergey Ya, Voinovich, Natalia D.

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Predicting the Surface Tension of Deep Eutectic Solvents: A Step Forward in the Use of Greener Solvents von Halder, Amit Kumar, Haghbakhsh, Reza, Voroshylova, Iuliia V., Duarte, Ana Rita C., Cordeiro, Maria Natalia D. S.

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Identification and Quantification by NMR Spectroscopy of the 22R and 22S Epimers in Budesonide Pharmaceutical Forms von Kuz’mina, Natalia E., Moiseev, Sergey V., Severinova, Elena Y., Stepanov, Evgenii A., Bunyatyan, Natalia D.

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Influence of the anion on the properties of ionic liquid mixtures: a molecular dynamics study von Voroshylova, Iuliia V, Ferreira, Elisabete S C, Malček, Michal, Costa, Renata, Pereira, Carlos M, Cordeiro, M Natália D S

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Using Substituted [Fe4N(CO)12]− as a Platform To Probe the Effect of Cation and Lewis Acid Location on Redox Potential von Pattanayak, Santanu, Loewen, Natalia D., Berben, Louise A.

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Functional inactivation of endogenous MDM2 and CHIP by HSP90 causes aberrant stabilization of mutant p53 in human cancer cells von Li, Dun, Marchenko, Natalia D, Schulz, Ramona, Fischer, Victoria, Velasco-Hernandez, Talia, Talos, Flaminia, Moll, Ute M

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Influence of Surface Modification of MK-40 Membrane with Polyaniline on Scale Formation under Electrodialysis von Andreeva, Marina A., Loza, Natalia V., Pis’menskaya, Natalia D., Dammak, Lasaad, Larchet, Christian

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Secondary Coordination Sphere Design to Modify Transport of Protons and CO2 von Loewen, Natalia D, Berben, Louise A

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A Machine Learning Approach for Hot-Spot Detection at Protein-Protein Interfaces von Melo, Rita, Fieldhouse, Robert, Melo, André, Correia, João D G, Cordeiro, Maria Natália D S, Gümüş, Zeynep H, Costa, Joaquim, Bonvin, Alexandre M J J, Moreira, Irina S

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IMILAST: A Community Effort to Intercompare Extratropical Cyclone Detection and Tracking Algorithms von Neu, Urs, Akperov, Mirseid G., Bellenbaum, Nina, Benestad, Rasmus, Blender, Richard, Caballero, Rodrigo, Cocozza, Angela, Dacre, Helen F., Feng, Yang, Fraedrich, Klaus, Grieger, Jens, Gulev, Sergey, Hanley, John, Hewson, Tim, Inatsu, Masaru, Keay, Kevin, Kew, Sarah F., Kindem, Ina, Leckebusch, Gregor C., Liberato, Margarida L. R., Lionello, Piero, Mokhov, Igor I., Pinto, Joaquim G., Raible, Christoph C., Reale, Marco, Rudeva, Irina, Schuster, Mareike, Simmonds, Ian, Sinclair, Mark, Sprenger, Michael, Tilinina, Natalia D., Trigo, Isabel F., Ulbrich, Sven, Ulbrich, Uwe, Wang, Xiaolan L., Wernli, Heini

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