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Organic/inorganic chemistry, analytical chemistry, electrochemistry, molecular properties, chemical reactions
2,330 datasets
Amir Ali's dataset is a library of 57 compounds identified through LC-MS analysis. All compounds are linked to their PubChem identifier and canonical SMILES representation. The dataset was last updated on April 3, 2026, and is shared under a CC-BY-4.0 license.
Twelve active compounds from Jacaranda mimosifolia, each associated with degree scores. The dataset, authored by Ayesha Bibi, was last updated on April 3, 2026. It is a 5.5 KB XLS file available under a CC-BY-4.0 license.
ADME Analysis of Twelve screened compounds of J. mimosifolia is a small dataset shared by Ayesha Bibi on figshare. It contains pharmacokinetic property data for twelve compounds derived from Jacaranda mimosifolia, likely related to potential antitumor activities. The dataset was last updated on April 3, 2026.
Ayesha Bibi published this dataset on figshare in April 2026. It contains a selection of compounds from the Jacaranda mimosifolia plant, analyzed for potential antitumor activities. The dataset is 5.5 KB in size and is available in XLS format.
Jyothish Joy's research dataset contains computational and experimental data for designing homogeneous transfer hydroformylation catalysts. The work involved density functional theory calculations, data science analysis, and experimental validation to screen over 600 bisphosphine ligands from a ReaLigands library. The dataset was last updated in March 2026.
Over 600 bisphosphine ligands from the ReaLigands library were screened using density functional theory calculations, data science, and experimental validation for transfer hydroformylation catalysis. The dataset contains computational and experimental results from a study by Jyothish Joy, published in 2026, aimed at identifying new Rhodium-based catalysts. It integrates DFT-calculated properties with experimental reactivity data to map the chemical space of potential catalysts.
Polygon features representing manmade constructions built for a specific purpose, such as bridges, dams, and aqueducts. The data is aggregated from the eu_open_data platform and originates from the Government Digital Service. The last update date and temporal coverage are unknown.
Experimental measurements from a 2025 project to decarbonize asphalt production using linear beam-down solar concentration. The data likely contains results from heating and drying reclaimed asphalt pavement (RAP) particles in a fixed bed using a compound parabolic concentrator (CPC). The dataset was recorded on 2025/04/23 by author Javier Villa Briongos.
5,683 records combine data from PubChem and ChEMBL, two major public chemistry databases. The dataset likely contains information on proteins and their associated small molecules. It was published on Kaggle, but the original author and specific collection details are not provided.
This is the QSAR-TID-101276 dataset from the OpenML platform. No descriptive metadata, sample data, or structural information is available.
This is the QSAR-TID-271 dataset from the OpenML platform. No information is available regarding its contents, size, or provenance.
This is the QSAR-TID-56 dataset from the OpenML platform. No information is available regarding its contents, size, or structure.
This is the QSAR-TID-10473 dataset from the OpenML platform. No descriptive metadata, column information, or row count is available.
A dataset from the OpenML platform with the identifier QSAR-TID-10621. No information is available on its contents, size, or structure.
A dataset from the OpenML platform with the identifier QSAR-TID-12828. No descriptive metadata, column definitions, or sample data are available.
A dataset from the OpenML platform with the identifier QSAR-TID-100906. No descriptive metadata, sample data, or structural details are available.
This is the QSAR-TID-17107 dataset from the OpenML platform. No descriptive metadata, column information, or sample data is available.
A dataset from the OpenML platform with the identifier QSAR-TID-11049. No descriptive metadata, column definitions, or sample data are available.
A dataset from the OpenML platform with the identifier QSAR-TID-17113. No descriptive metadata, column information, or sample data is available.
A QSAR dataset from the OpenML platform. No information is available on its contents, size, or provenance.