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Organic/inorganic chemistry, analytical chemistry, electrochemistry, molecular properties, chemical reactions
2,029 datasets
Known as identified as QSAR-TID-100186 from the OpenML platform. No information is available regarding its contents, size, or structure.
Known as identified as QSAR-TID-101204 from the OpenML platform. No descriptive metadata, column information, or row count is available.
Identified as QSAR-TID-12077 from the OpenML platform. No descriptive metadata, column definitions, or sample data are available. The row count, column count, and other specifics are unknown.
A resource from the OpenML platform with the identifier QSAR-TID-11056. No descriptive metadata, column information, or sample data is available.
A resource from the OpenML platform with the identifier QSAR-TID-102576. No descriptive metadata, row count, or column information is available.
Functioning as identified as QSAR-TID-10438 from the OpenML platform. No descriptive metadata, column information, or sample data is available.
Titled QSAR-TID-13000 and is sourced from the OpenML platform. No information is available regarding its contents, size, authorship, or structure.
From the OpenML platform with the identifier QSAR-TID-100853. No descriptive metadata, column information, or row count is available.
Titled QSAR-TID-8 and is sourced from the OpenML platform. No information is available regarding its contents, size, authorship, or structure.
Known as titled QSAR-TID-38 and is sourced from the OpenML platform. No information is available regarding its contents, size, authorship, or temporal coverage.
Known as titled QSAR-TID-10300 and is hosted on the OpenML platform. No further descriptive information, column details, or row counts are available.
A release from the QSAR-TID series, identified as entry 11141 on the OpenML platform. No information is available regarding its contents, size, or structure.
Serving as identified as QSAR-TID-11019 from the OpenML platform. No descriptive metadata, column information, or row count is available.
Serving as listed on OpenML under the identifier QSAR-TID-11409. No descriptive metadata, column details, or row count are available.
Known as titled QSAR-TID-10505 and is sourced from the OpenML platform. No information is available regarding its contents, size, authorship, or structure.
Functioning as titled QSAR-TID-105 and is sourced from the OpenML platform. No information is available regarding its contents, size, creator, or update date.
This dataset details a photocatalytic strategy for synthesizing heteroaromatic trifluoromethyl ketones. The protocol demonstrates the key Minisci coupling reaction across more than 10 unique heterocyclic classes, including pyridines, pyrazines, and quinolines. The data is provided in an XLSX file and was authored by Kyra L. Samony.
Replicated emission factors for a wide range of trace gases measured during controlled laboratory burning experiments. The data covers multiple Canadian boreal forest fuel types, including Ponderosa pine, mulch, grass, and peat, under dry and wet conditions. This dataset was produced as part of the Biomass Burning Canada (BBCan) campaign and supports the manuscript "Characterization of Trace Gas Emissions from Controlled Laboratory Burning of Canadian Boreal Forest Fuels."
A 2026 study by Bo Yang presents a dataset for predicting the performance of acidic copper plating levelers. It includes experimental Dissolution Peak Decrease Amount (DPDA) values and DFT-calculated adsorption energies (E_ads) as targets, with 24 theoretical molecular properties as features. The framework was used to screen 29,785,186 compounds and identify five novel levelers.
A series of novel disubstituted l-prolinamide derivatives were designed and synthesized to target PI3Kα, a protein frequently mutated in cancers. The dataset includes biological evaluation data, showing compound 26 exhibited high selectivity over other PI3K isoforms (1268-fold over PI3Kβ). It was authored by Yunxia Wang and last updated on March 18, 2026.