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Effect of Nanohydroxyapatite on Silk Fibroin–Chitosan Interactions—Molecular Dynamics Study.
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- Applied Sciences (2076-3417), 2024, v. 14, n. 10, p. 4131, doi. 10.3390/app14104131
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Experimental and Machine-Learning-Assisted Design of Pharmaceutically Acceptable Deep Eutectic Solvents for the Solubility Improvement of Non-Selective COX Inhibitors Ibuprofen and Ketoprofen.
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- Molecules, 2024, v. 29, n. 10, p. 2296, doi. 10.3390/molecules29102296
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- Article
Experimental and Theoretical Insights into the Intermolecular Interactions in Saturated Systems of Dapsone in Conventional and Deep Eutectic Solvents.
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- Molecules, 2024, v. 29, n. 8, p. 1743, doi. 10.3390/molecules29081743
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- Article
Deep Eutectic Solvents as Agents for Improving the Solubility of Edaravone: Experimental and Theoretical Considerations.
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- Molecules, 2024, v. 29, n. 6, p. 1261, doi. 10.3390/molecules29061261
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Solubility of dapsone in deep eutectic solvents: Experimental analysis, molecular insights and machine learning predictions.
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- Polimery w Medycynie, 2024, v. 54, n. 1, p. 15, doi. 10.17219/pim/177235
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Predicting sulfanilamide solubility in the binary mixtures using areference solvent approach.
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- Polimery w Medycynie, 2024, v. 54, n. 1, p. 27, doi. 10.17219/pim/178284
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- Article
Exploring the Solubility Limits of Edaravone in Neat Solvents and Binary Mixtures: Experimental and Machine Learning Study.
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- Molecules, 2023, v. 28, n. 19, p. 6877, doi. 10.3390/molecules28196877
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- Article
Intermolecular Interactions as a Measure of Dapsone Solubility in Neat Solvents and Binary Solvent Mixtures.
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- Materials (1996-1944), 2023, v. 16, n. 18, p. 6336, doi. 10.3390/ma16186336
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- Article
Finding the Right Solvent: A Novel Screening Protocol for Identifying Environmentally Friendly and Cost-Effective Options for Benzenesulfonamide.
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- Molecules, 2023, v. 28, n. 13, p. 5008, doi. 10.3390/molecules28135008
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Intermolecular Interactions of Edaravone in Aqueous Solutions of Ethaline and Glyceline Inferred from Experiments and Quantum Chemistry Computations.
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- Molecules, 2023, v. 28, n. 2, p. 629, doi. 10.3390/molecules28020629
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- Article
Collagen Type II—Chitosan Interactions as Dependent on Hydroxylation and Acetylation Inferred from Molecular Dynamics Simulations.
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- Molecules, 2023, v. 28, n. 1, p. 154, doi. 10.3390/molecules28010154
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- Article
MOLECULAR DYNAMICS SIMULATIONS OF THE AFFINITY OF CHITIN AND CHITOSAN FOR COLLAGEN: THE EFFECT OF pH AND THE PRESENCE OF SODIUM AND CALCIUM CATIONS.
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- Progress on Chemistry & Application of Chitin & its Derivatives, 2023, v. 28, p. 136, doi. 10.15259/PCACD.28.013
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- Article
Solubility Characteristics of Acetaminophen and Phenacetin in Binary Mixtures of Aqueous Organic Solvents: Experimental and Deep Machine Learning Screening of Green Dissolution Media.
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- Pharmaceutics, 2022, v. 14, n. 12, p. 2828, doi. 10.3390/pharmaceutics14122828
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- Article
New Insights into Thermodynamics of Solutes in Neat and Complex Solvents.
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- Molecules, 2022, v. 27, n. 18, p. 6131, doi. 10.3390/molecules27186131
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- Article
Application of COSMO-RS-DARE as a Tool for Testing Consistency of Solubility Data: Case of Coumarin in Neat Alcohols.
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- Molecules, 2022, v. 27, n. 16, p. 5274, doi. 10.3390/molecules27165274
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- Article
New Screening Protocol for Effective Green Solvents Selection of Benzamide, Salicylamide and Ethenzamide.
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- Molecules, 2022, v. 27, n. 10, p. 3323, doi. 10.3390/molecules27103323
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- Article
Effect of Chitosan Deacetylation on Its Affinity to Type III Collagen: A Molecular Dynamics Study.
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- Materials (1996-1944), 2022, v. 15, n. 2, p. 463, doi. 10.3390/ma15020463
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- Article
Albumin–Hyaluronan Interactions: Influence of Ionic Composition Probed by Molecular Dynamics.
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- International Journal of Molecular Sciences, 2021, v. 22, n. 22, p. 12360, doi. 10.3390/ijms222212360
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- Article
Experimental and Theoretical Screening for Green Solvents Improving Sulfamethizole Solubility.
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- Materials (1996-1944), 2021, v. 14, n. 20, p. 5915, doi. 10.3390/ma14205915
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- Article
Solvent Screening for Solubility Enhancement of Theophylline in Neat, Binary and Ternary NADES Solvents: New Measurements and Ensemble Machine Learning.
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- International Journal of Molecular Sciences, 2021, v. 22, n. 14, p. 7347, doi. 10.3390/ijms22147347
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- Article
Thermodynamics and Intermolecular Interactions of Nicotinamide in Neat and Binary Solutions: Experimental Measurements and COSMO-RS Concentration Dependent Reactions Investigations.
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- International Journal of Molecular Sciences, 2021, v. 22, n. 14, p. 7365, doi. 10.3390/ijms22147365
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- Article
Thermodynamic Characteristics of Phenacetin in Solid State and Saturated Solutions in Several Neat and Binary Solvents.
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- Molecules, 2021, v. 26, n. 13, p. 4078, doi. 10.3390/molecules26134078
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- Article
Design, Synthesis, and Cell Lines Studies of Oleanolic Acid—Hydrogen Sulfide Donor Hybrids.
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- Applied Sciences (2076-3417), 2021, v. 11, n. 8, p. 3364, doi. 10.3390/app11083364
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- Article
Application 2D Descriptors and Artificial Neural Networks for Beta-Glucosidase Inhibitors Screening.
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- Molecules, 2020, v. 25, n. 24, p. 5942, doi. 10.3390/molecules25245942
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- Article
The use of fast molecular descriptors and artificial neural networks approach in organochlorine compounds electron ionization mass spectra classification.
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- Environmental Science & Pollution Research, 2019, v. 26, n. 27, p. 28188, doi. 10.1007/s11356-019-05968-4
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- Article
Natural Deep Eutectic Solvents as Agents for Improving Solubility, Stability and Delivery of Curcumin.
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- Pharmaceutical Research, 2019, v. 36, n. 8, p. N.PAG, doi. 10.1007/s11095-019-2643-2
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- Article
Predicting Value of Binding Constants of Organic Ligands to Beta-Cyclodextrin: Application of MARSplines and Descriptors Encoded in SMILES String.
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- Symmetry (20738994), 2019, v. 11, n. 7, p. 922, doi. 10.3390/sym11070922
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Application of Multivariate Adaptive Regression Splines (MARSplines) for Predicting Hansen Solubility Parameters Based on 1D and 2D Molecular Descriptors Computed from SMILES String.
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- Journal of Chemistry, 2019, p. 1, doi. 10.1155/2019/9858371
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Studies on the formation of formaldehyde during 2-ethylhexyl 4-(dimethylamino)benzoate demethylation in the presence of reactive oxygen and chlorine species.
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- Environmental Science & Pollution Research, 2017, v. 24, n. 9, p. 8049, doi. 10.1007/s11356-017-8477-8
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- Article
Exploring the cocrystallization potential of urea and benzamide.
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- Journal of Molecular Modeling, 2016, v. 22, n. 5, p. 103, doi. 10.1007/s00894-016-2964-6
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- Article
Formation of chlorinated breakdown products during degradation of sunscreen agent, 2-ethylhexyl-4-methoxycinnamate in the presence of sodium hypochlorite.
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- Environmental Science & Pollution Research, 2016, v. 23, n. 2, p. 1886, doi. 10.1007/s11356-015-5444-0
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On the origin of surface imposed anisotropic growth of salicylic and acetylsalicylic acids crystals during droplet evaporation.
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- Journal of Molecular Modeling, 2015, v. 21, n. 3, p. 1, doi. 10.1007/s00894-015-2599-z
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- Article