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Organic/inorganic chemistry, analytical chemistry, electrochemistry, molecular properties, chemical reactions
2,033 datasets
Harvard Dataverse hosts source data for Figures 1-7 and Supplementary Information Figures S1-S21 from a study on measuring transient interfacial pH changes. Author Ming-Pei Lin provides experimental data supporting the analysis of Proton-Insertion Coupled Electron Transfer (PICET) processes. The dataset is associated with research on rotating ring-disk electrochemistry (RRDE) and local pH change sensors.
Integrated Multiplexed Imaging Mass Spectrometry and Deep Learning for High‑Reso. The dataset likely contains high-resolution imaging mass spectrometry data integrated with deep learning models. It was sourced from Kaggle and tagged as a research dataset.
Sdftgtg is a chemistry dataset published on Kaggle. The dataset's specific content, size, and origin are not detailed in the available metadata. Further verification is required to confirm its exact scope and utility.
A dataset on Kaggle concerning phytochemical compounds found in Urtica (nettle) species. The specific number of compounds, measurement methods, and data collection details are unknown and require verification after download. The dataset likely contains tabular data on chemical constituents, as suggested by the platform tags.
Kaggle dataset titled 'brainmri-notebook3-outputs' likely contains outputs from a notebook analyzing brain MRI scans. The dataset is associated with the platform tag 'Pre Trained Model', suggesting it may include predictions or processed data from a machine learning workflow. Metadata is minimal; specifics on size, format, and content are unknown.
PCB compound detection likely involves chemical or environmental analysis data. The dataset is hosted on Kaggle, but its specific content, size, and origin are not detailed in the provided metadata. Users must download the dataset to verify its actual structure and applicability.
A collection of compounds identified as having high scores for drug-like properties. The dataset is hosted on Kaggle, but specific details on the number of compounds, their source, and creation date are unavailable from the provided metadata. The title suggests the data is likely used for computational chemistry and machine learning applications.
A report from a work group discussing the application of tandem mass spectrometry for screening metabolic diseases in newborns. The dataset likely contains findings, methodologies, or recommendations from this collaborative effort. It is sourced from the paperswithcode platform.
533,595 chemical compounds with experimental NMR (Nuclear Magnetic Resonance) peak sequences, including both H-NMR and C-NMR data. The dataset, created by SpectrumWorld, provides SMILES representations and molecular formulas for each compound. It was last updated on December 8, 2025.
Raw NMR and analytical data associated with a scientific publication. The dataset was contributed by author Guido Pauli from the organization gfp@uic. The specific volume, features, and temporal coverage are not detailed in the provided metadata.
Raw data associated with a publication on dRMs of ephedrines and congeneric phenethylamines. The dataset was authored by Guido Pauli and last updated in January 2026. The specific row count, column structure, and file formats are unknown.
Raw experimental data underpins a systematic study on tuning the properties of planar, symmetric perylene monoimide molecules. The dataset contains original files from High-Resolution Mass Spectrometry, UV-Vis absorption, fluorescence, electrochemistry, and NMR FID measurements. Author GARCIA CALVO, JOSE published this data via the e-cienciaDatos Harvested Dataverse platform, with a last update recorded on 2025-11-30.
NablaDFT provides conformational energy and Hamiltonian matrix data for quantum chemistry research, developed by the AIRI-Institute. Updated in December 2025, it serves as a large-scale benchmark for Density Functional Theory (DFT) calculations.
88% maximum furfural conversion and 55% yield towards desired C10 adducts were achieved in a solventless aldol condensation reaction. The dataset, authored by Marta Paniagua and harvested by e-cienciaDatos, analyzes the performance of H-USY zeolite catalysts modified with zirconium. It was last updated on November 4, 2025.
Data from a 2025 study evaluating sulfonic acid-modified silica catalysts for the solventless self-condensation of cyclohexanone into oxygenated fuel precursors. The dataset, authored by Martin Rengel, Antonio, includes results showing high selectivity (>95%) for monocondensed compounds and conversion values between 20-40% after 2 hours at 100°C. It explores the role of pore size and structure on catalytic activity, stability, and reusability.
A dataset from 2025 describing the synthesis and testing of mesoporous silica-supported Zr-MOF-808 catalysts for aldol condensation. The data, authored by Gabriel Morales, includes performance metrics such as furfural conversion and selectivity for the C11 aldol adduct under varying reaction conditions.
Replication Data for Selective extraction of high-added value carboxylic acids from aqueous fermentative effluents with hydrophobic eutectic solvents (HES) was authored by VIDAL DUARTE, NORA and harvested from the e-cienciaDatos Dataverse. The dataset likely contains experimental results from assessing hydrophobic eutectic solvents for the selective liquid-liquid extraction of C2-C6 carboxylic acids from mixtures containing sugars. It was last updated on 2025-10-14.
Surface Chemistry is a dataset published on HuggingFace by author JuanXiang-SHU. The dataset was last updated on 2025-12-31. Its specific content, size, and structure are not detailed in the provided metadata.
A dataset likely containing validation results for a green analytical method to extract opium alkaloids from poppy seed beverages. The method, developed by Casado-Hidalgo, Gema, uses a hydrophobic natural deep eutectic solvent and was validated in 2025. It reports extraction efficiencies between 91 and 107 percent and low quantification limits.
Catalysts containing 10 and 20 wt.% CeO2 achieved nearly complete acetic acid conversion and hydrogen yields approaching thermodynamic equilibrium at 550°C. This dataset, authored by Carlos Andres Chirinos Chavez and harvested from e-cienciaDatos, contains results from evaluating Co/SBA-15 catalysts doped with 5–30 wt.% CeO2 for oxidative steam reforming. The data likely includes performance metrics across a 400–700°C temperature range and time-on-stream stability tests up to 30 hours.