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Drug-target interaction, molecular screening, ADMET, compound databases, pharmaceutical data
627 datasets
Goliath Dataset French Toxicity is a text dataset hosted on HuggingFace by author ItsAxel. The dataset's content likely contains French language text annotated for toxicity, as suggested by its title. It was last updated on the HuggingFace platform on 2026-02-21 11:35:24.
A dataset from Kaggle describing an integrated microfluidic platform for high-throughput screening. The dataset likely contains experimental results from screening compounds targeting the BCL-2 protein family. The author, organization, and temporal coverage are unknown.
OECD Health Data provides international statistics on pharmaceutical markets. The data likely contains metrics on drug consumption, expenditure, and market structure across member countries. It is published by the Organisation for Economic Co-operation and Development (OECD).
Kaggle hosts a dataset titled 'toxicity'. The dataset likely contains measurements or classifications related to toxic substances. Its specific content, scale, and origin are not detailed in the provided metadata.
Featuring raw data from a manuscript investigating the protective effects of phosphatidylserine-based liposomes encapsulating DMX-5804 against doxorubicin-induced cardiotoxicity. The data was authored by Jessica Tetterton-Kellner and was last updated in February 2026. Specific details on rows, columns, and file formats are unavailable.
The Data Management and Sharing Plan for p16INK4a Expression, Chemotherapy Toxicity, and Aging in Women with Breast Cancer outlines the strategy for managing and sharing scientific data generated by the research project. Authored by Hy Muss and harvested by ODUM, the plan describes the intended data but specific details like row count, column names, and file formats are unavailable.
ProteinDrugDB is a research-grade synthetic dataset intended for machine learning-driven drug discovery. The dataset is hosted on Kaggle and is tagged with topics including ML Ethics, Healthcare, and Chemistry. Its specific size, format, and column details are unknown.
Northeast US weekly pharmaceutical sales data from 2018 to 2023. The dataset likely contains sales figures aggregated over time. The author and organization are unknown.
Exocarpium Citri Grandis compounds are analyzed for their potential anti-hyperlipidemia effects using network pharmacology methods. The dataset likely contains molecular interaction data, such as compound-target or pathway relationships, sourced from Kaggle. Its author, organization, and specific size are unknown.
Delivering molecular interaction data intended for virtual screening in drug discovery. The specific number of rows, columns, and data features is not provided in the input.
Encompassing information about certain drug types, intended for binary classification tasks. It is tagged for applications related to health, heart conditions, and drugs and medications.
Apo2Mol Dataset is a structure-based drug design resource containing 24,601 paired apo and holo protein structures, along with their associated ligands and binding pockets. It was created by AIDD-LiLab and last updated on Hugging Face in December 2025. The dataset is designed for training and evaluating pocket-aware 3D molecule generation models.
BindingDB is a public database of measured binding affinities for drug-like molecules and their protein targets. This Kaggle dataset, titled 'bindingdb-onco-admet', likely contains a curated subset focused on oncology and ADMET (Absorption, Distribution, Metabolism, Excretion, Toxicity) properties. The specific number of rows, columns, and source details are not provided in the available metadata.
Expansion Therapeutics collected this real-world ADMET data during recent drug discovery campaigns targeting RNA-mediated diseases. The dataset, released by openadmet on Hugging Face, contains measurements from preclinical optimization programs. It was last updated on December 5, 2025.
DrugBank is a widely-used bioinformatics and cheminformatics resource. This dataset likely contains the full DrugBank database, which includes information on drugs and drug targets. Published on Kaggle.
2026 data from Harvard Dataverse supports research on multi-target antivirals from Selaginella bryopteris. The dataset, authored by Alejandro Morales-Bayuelo, contains computational results for compounds Amentoflavone and Myo-Inositol.
Kaggle hosts an AI-driven dataset for molecular property prediction in drug discovery research. The dataset's author, organization, and specific scale are unknown. Its last update date is also unspecified.
Roman Urdu text data annotated for toxic language, sourced from the Kaggle platform. The dataset likely contains text samples with labels indicating the presence of harmful or offensive content. Specific details on volume, author, and collection timeframe are not provided in the available metadata.
Harvard Dataverse hosts molecular simulation data associated with a network pharmacology study. The research, authored by Alejandro Morales-Bayuelo, investigates Amentoflavone and Myo-Inositol as potential multi-target antivirals derived from the plant Selaginella bryopteris. The dataset's specific structure, including row and column counts, is not detailed in the available metadata.
Real-world ADMET data collected by Expansion Therapeutics during recent drug discovery campaigns for RNA-mediated diseases. The dataset contains measurements for off-targets and properties of interest, representing a blinded test set for the OpenADMET-ExpansionRx Challenge. It was published by openadmet on Hugging Face and last updated on October 27, 2025.