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Drug-target interaction, molecular screening, ADMET, compound databases, pharmaceutical data
532 datasets
Necent's AI Security Dataset provides 691,331 examples for AI safety research. The collection unifies 15 source datasets covering 26 languages and various attack types. It was last updated in March 2026.
A Data Management and Sharing Plan authored by Yanguang Cao for the AIM-PATH research project. The plan describes scientific data to be generated and/or used in research on antibody pharmacokinetics and toxicity modeling. It was last updated on 2026-04 27 and outlines a strategy for managing and sharing project data.
Surface water toxicity data from the California Environmental Data Exchange Network (CEDEN), the state's system for water quality. It includes results from laboratory, physical, and biological analyses such as chemical, toxicological, bio-assessment, invertebrate, and fish assays. The dataset contains provisional data quality indicators to aid interpretation.
Giving access to ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) profiles for selected DHPS (dihydrofolate synthase) virtual screening hits and their analogues. The data is stored in a 5.5 KB Excel file. It was created by Tahira Noor to support drug discovery research.
1,000 agents were simulated in a Monte Carlo model to study social toxicity and stochastic tipping points. The dataset likely contains results from this agent-based simulation of online behavior. It was sourced from Kaggle, but specific authorship, update date, and detailed documentation are not provided.
A summary of mouse food consumption data collected for an acute oral toxicity study of the Vip3Cb1 protein. The dataset is a 5.5 KB Excel file authored by Lucas J. McKinnon and last updated on 2026-03-18. It is licensed under CC-BY-4.0 and hosted on figshare.
Lucas J. McKinnon published a summary of mouse body weights from an acute oral toxicity study for the Vip3Cb1 protein on figshare in March 2026. The 5.5 KB dataset is stored in an Excel file and licensed for reuse under CC-BY-4.0. The data likely contains measurements related to assessing the safety of insecticidal proteins.
Vip3Cb1 protein acute oral toxicity study data summarizes mouse body weight changes. Lucas J. McKinnon published the 5.5 KB Excel file on figshare under a CC-BY-4.0 license. The dataset was last updated on March 18, 2026.
Replication files for tables and figures in the academic paper 'The Role of Information in Pharmaceutical Advertising - Theory and Evidence' and its appendix. The data was authored by Ryan, Conor and hosted by the Review of Economics and Statistics Dataverse. It was last updated on April 22, 2026.
John Pavlopoulos, Jeffrey Sorensen, Lucas Dixon, Nithum Thain, and Ion Androutsopoulos created this dataset for binary classification of toxic online comments. The data includes annotations for comments both with and without their surrounding context, such as parent comments and discussion topics. The dataset is hosted on OpenML and originates from research documented in an arXiv paper.
FLAb is the largest publicly available therapeutic antibody dataset designed for training and benchmarking protein AI models. It provides open-access, high-quality developability data on diverse therapeutic properties, including expression, thermostability, immunogenicity, aggregation, polyreactivity, binding affinity, and pharmacokinetics. The dataset was contributed by the Jeffrey Gray Lab at Johns Hopkins University and is available under a CC-BY-4.0 license.
A 10-day exposure bioassay measured the toxicity of dispersed and undispersed Special Antarctic Blend diesel in marine sediment to the temperate heart urchin Echinocardium cordatum. The dataset includes daily observations of burial status and survival, along with environmental parameters like salinity, dissolved oxygen, pH, and temperature. Data was collected under the umbrella project ASAC_2201 by the organization AU_AADC.
A 2001 study examined the binding affinities of 36 typical and atypical antipsychotic agents for cloned rat 5-HT6 and 5-HT7 receptors. The dataset, sourced from BindingDB, reports Ki values from experiments using transiently expressed COS-7 cells and stably transfected HEK-293 cells. It includes results for agents like clozapine, pimozide, and risperidone, with some affinities reported as low as 0.5 nM.
NOAA_NCEI's database contains information for assessing pharmaceutical environmental risk, including prescribed amounts, detected environmental levels, and chemical properties. It provides toxicity data for five organism groups: algae, mollusks, finfish, crustaceans, and select terrestrial animals. The dataset aggregates chemical structure, molecular weight, and environmental persistence metrics.
Anirban Basu from the American Journal of Health Economics created a dataset analyzing the dynamic efficiency and pricing of pharmaceutical innovations. The data is curated from public sources and was last updated in March 2026. It is formatted for analysis in STATA.
427 million drug-like molecules in SMILES format were curated from the ZINC-22 database using a multi-stage filtration pipeline. The dataset prioritizes pharmaceutical relevance through stringent physicochemical and medicinal chemistry rules. It was created by SZU-ADDG and last updated in February 2026.
The input does not describe a dataset. It consists of repeated promotional text for purchasing Misoprostol and Mifepristone tablets in Kuwait, with no data attributes, row count, column count, or creator information provided.
The input does not describe a dataset. It is a repeated advertisement for purchasing Misoprostol, Mifepristone, and Cytotec pills in Bahrain, including a phone number. No data rows, columns, or substantive content are provided.
The input does not describe a dataset. It is a repeated advertisement for purchasing Misoprostol, Mifepristone, and Cytotec pills in Bahrain, including a phone number. No data rows, columns, or substantive content are provided.
The input does not describe a dataset. It consists of repeated promotional text for purchasing Misoprostol and Mifepristone tablets in Sharjah and Fujairah, UAE. No data rows, columns, or substantive content are provided.