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Organic/inorganic chemistry, analytical chemistry, electrochemistry, molecular properties, chemical reactions
2,324 datasets
Docking scores for phytocompounds against the FemA protein of Staphylococcus aureus, calculated using the Swissdock tool. The dataset was created by Md. Nazmussakib Shuvo and was last updated in April 2026. It is a small dataset, approximately 5.5 KB in size, stored in an XLS file.
Docking scores from AutodockVina for phytocompounds against the FemA protein of Staphylococcus aureus. The dataset was published by Md. Nazmussakib Shuvo and was last updated in April 2026. It is a small dataset, approximately 5.5 KB in size, stored in an XLS file.
Poland-based research provides spectroscopic characterization metadata for novel zinc compounds. The dataset supports a 2025 publication in the Journal of Physical Chemistry Letters on excited state dynamics and emission properties. It likely contains tabular data detailing spectroscopic measurements for silsesquioxane-salphen-based zinc compounds.
June 19 to July 28, 1995, this dataset contains continuous 5-minute measurements of ozone, nitrogen oxides, carbon monoxide, and sulfur dioxide from seven monitoring stations in the Nashville/Middle Tennessee region. The Tennessee Valley Authority coordinated the Southern Oxidants Study field campaign to improve understanding of tropospheric ozone production. Midday canister samples for volatile organic compounds were also collected and analyzed by the University of Miami.
MIC values for a specific chemical compound against three microbial species: Staphylococcus aureus, Escherichia coli, and Candida albicans. The dataset was created by author Saad Alghamdi and is hosted on figshare. It was last updated in April 2026.
Diffusion-based inhibitory concentration data measures the activity of synthesized compounds against three clinical isolates. The dataset, created by Saad Alghamdi, is available under a CC-BY-4.0 license and was last updated in April 2026. Its small size of 5.5 KB suggests a focused experimental dataset.
Molecular docking scores for 11 synthetic compounds (labeled 3a to 3k) targeting the E. coli enzyme FabH (PDB ID: 5BNR). Saad Alghamdi published this dataset in April 2026 via figshare. The dataset is a single 9.5 KB Excel file.
Processed small molecule datasets contain chemical structures represented as SMILES strings. The data is derived from sources including CMAP, Tahoe, and CIGS, and has been standardized into a consistent CSV format. Author Zhenghang04 uploaded it to Hugging Face, with a last recorded update in April 2026.
A 1.6 MB dataset containing proton nuclear magnetic resonance (1H NMR) spectra for a material labeled HA-PBA. The data is published on figshare under a CC-BY-4.0 license by author Bingying Zhang and was last updated on 2026-04-20. The specific file format is MNOVA, which suggests the data is likely intended for analysis with specialized chemistry software.
Serving as identified as QSAR-TID-10962 from the OpenML platform. No descriptive metadata, column definitions, sample data, or row count are available.
Identified as QSAR-TID-12327 from the OpenML platform. No descriptive metadata, column information, or sample data is available.
Listed on the OpenML platform under the identifier QSAR-TID-10803. No descriptive metadata, column information, or sample data is available.
Serving as listed on OpenML with the identifier QSAR-TID-30004. No descriptive metadata, column information, or sample data is available.
A release from the OpenML platform with the identifier QSAR-TID-11784. No descriptive metadata, column information, or row count is available.
Serving as identified as QSAR-TID-101332 from the OpenML platform. No descriptive metadata, column details, or row count are available.
Titled QSAR-TID-138 and is sourced from the OpenML platform. No information is available regarding its contents, size, creator, or update date.
Data from the OpenML platform with the identifier QSAR-TID-10682. No descriptive metadata, sample data, or structural information is available.
Identified as QSAR-TID-30043 from the OpenML platform. No descriptive metadata, column information, or row count is available.
Data from the OpenML platform with the identifier QSAR-TID-11780. No descriptive metadata, column information, or row count is available.
Functioning as titled QSAR-TID-108 and is sourced from the OpenML platform. No information is available regarding its contents, size, authorship, or structure.