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Organic/inorganic chemistry, analytical chemistry, electrochemistry, molecular properties, chemical reactions
2,033 datasets
Aggregating raw data supporting a journal article on probing charge-transfer processes in a Pt/TiO2 photocatalyst using amperometric and potentiometric photo-SECM. The data was authored by Haoqing Su and submitted to PNAS USA. The specific row count, column count, and file formats are not provided.
A dataset from the ChEMBL database, version 36, likely containing molecular representations and associated bioactivity data for chemical compounds. The dataset is hosted on Kaggle, but its specific size, columns, and update date are not provided in the metadata. It is derived from the ChEMBL resource, a manually curated database of bioactive molecules.
Aggregating raw SWATH files for suspect screening analysis of polyfluoroalkyl carboxylates (PFAS) in bacterial membrane lipids, as described in the associated manuscript. The data was generated by author Jessica Lafond and is hosted by the Texas Data Repository.
NVIDIA NMRC is a dataset hosted on Kaggle. The title suggests a focus on computational chemistry, molecular modeling, or nuclear magnetic resonance, likely associated with NVIDIA's research initiatives. The dataset's specific contents, scale, and creation details are not provided in the available metadata.
Pre-trained model files hosted on Kaggle, likely intended for use with TensorFlow Lite. The dataset's title suggests it may involve model conversion or optimization workflows. Specific details on the model architecture, training data, and performance are not provided in the available metadata.
Medicine’s Privileged Gatekeepers: Producing Harmful Ignorance About Racism And Health is a text-based dataset from paperswithcode. It likely contains analysis or documentation concerning the production and obfuscation of knowledge about racism and health by medical institutions over a period described as at least 200 years. The dataset's license is closed, and specific authorship and update details are unknown.
A government report authored by Beth Hassett-Sipple, published on the paperswithcode platform. The document likely contains a detailed analysis of the health impacts associated with mercury and its compounds. The specific publication date, length, and internal structure are not provided in the metadata.
QSAR biodegradation data contains molecular descriptors for chemical compounds, used to model and predict their biodegradability. The dataset originates from the UCI Machine Learning Repository, a known source for benchmark datasets. The specific creation date and author are not provided.
PubChem Bioassay Data is a collection of biological screening results for chemical substances. It is produced by the National Center for Biotechnology Information (NCBI) and contains results from high-throughput screening experiments submitted by research organizations. The dataset supports the discovery of bioactive molecules.
Featuring Nuclear Magnetic Resonance (NMR) data for analyzing the 13C/12C isotope ratio in beta alanine using 1H NMR spectroscopy. The data was contributed by author David Hoffman and is hosted by the Texas Data Repository.
Giving access to replication data for a manuscript investigating molybdenum iron catalysts used in the non-oxidative coupling of methane to produce ethylene. The data was authored by Madelyn Ball and is hosted by Harvard Dataverse. Specific details on the number of rows, columns, and file formats are unavailable.
High-throughput density functional theory calculations for N-doped MXenes. The dataset is tagged for applications in Electronics, Data Visualization, and Data Analytics. Specific details on row count, column features, and data collection methodology are not provided.
QSAR fish bioconcentration factor (BCF) data quantifies the accumulation of chemicals in aquatic organisms. The dataset originates from the UCI Machine Learning Repository, a known source for benchmark datasets. Specific details on the number of compounds, features, and creation date are not provided in the input metadata.
QSAR modeling data classifies chemicals based on their potential to accumulate in organisms. The dataset originates from the UCI Machine Learning Repository and is associated with environmental chemistry research. Specific row counts and update dates are not provided in the input metadata.
QSAR androgen receptor data provides molecular descriptors and bioactivity labels for chemical compounds. The dataset originates from the UCI Machine Learning Repository and is associated with Quantitative Structure-Activity Relationship modeling. Its exact size and creation date are unknown.
QSAR oral toxicity data provides molecular descriptors for predicting the acute oral toxicity of chemical compounds. The dataset originates from the UCI Machine Learning Repository, a known source for benchmark datasets. Specific details on the number of compounds, date of creation, and original authors are not provided in the input metadata.
QSAR aquatic toxicity data contains molecular descriptors for chemical compounds and their associated toxicity values for aquatic organisms. The dataset is hosted by the UCI Machine Learning Repository, a known source for benchmark datasets. The specific source, size, and creation date are not detailed in the provided metadata.
A Quantitative Structure-Activity Relationship dataset for predicting chemical toxicity to fish. The dataset is hosted by the UCI Machine Learning Repository and relates molecular descriptors to a toxicity endpoint. It is used for modeling in environmental chemistry and toxicology.
A Data Management and Sharing Plan for a research project on the ring-opening metathesis polymerization of carbodiimides and diazene metathesis. The plan describes the scientific data to be generated and outlines a strategy for managing and sharing project data. The dataset's specific structure, including row and column counts, is unknown.
The dataset likely contains measurements for lethal dose, toxic dose, lethal concentration, and toxic concentration. It originates from the PubChem database, a public repository for chemical information. The specific volume, update date, and detailed structure are not provided.