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Drug-target interaction, molecular screening, ADMET, compound databases, pharmaceutical data
532 datasets
508.2 KB of data comparing the neutralization potency of two antibody variants, ADI-65534-IgG1 and ADI-65534-IgG3, against Andes virus entry. The dataset includes normalized infectivity measurements from 8 wells per antibody dilution across three independent experiments, with statistical analysis (p=0.0008). Nicole Johnson published this data on figshare under a CC-BY-4.0 license, last updated on 2026-04 14.
Supplementary file 1 from figshare contains experimental data on novel sodium-dependent glucose cotransporter 2 (SGLT2) inhibitors. The dataset includes in vitro IC50 values, selectivity ratios, and in vivo treatment results from a study by Haotian Ni, published in April 2026. It documents a virtual screening approach that identified compounds with nanomolar potency.
Nadia Seifi published a dataset on figshare in May 2026. It contains validation results for six designed constructs, assessing their allergenicity, antigenicity, and toxicity. The data is stored in a 5.5 KB XLS file.
One compound, 3i, exhibited the most potent antibacterial activity against Gram-positive and Gram-negative strains. The dataset contains key ADMET characteristics for this compound, synthesized and evaluated by Saad Alghamdi. The data was last updated in April 2026.
Experimental data investigates Licochalcone A's mitigation of cisplatin-induced nephrotoxicity. The dataset includes results from in vivo murine models and in vitro HK-2 cell assays, measuring renal function, oxidative stress, ferroptosis markers, and mitochondrial health. It was authored by Feihu Zhang and uploaded to figshare in April 2026.
Over 40,000 cofolding predictions generated by author dargason using three methods (OpenFold3, Boltz2, Chai1) for the nuclear hormone receptor hPXR. The ligand set contains more than 600 molecules, including known binders, agonists, and inactives, sourced from the OpenADMET PXR Challenge. The dataset was last updated on 2026-05-18.
Figshare hosts data from a preclinical study evaluating four peptide-based PET ligands ([68Ga]1-4) for imaging the ROR1 receptor in melanoma. The dataset contains results from in vitro binding assays and microPET/CT imaging in three mouse tumor models (B16F10, A375, SK-MEL-28), highlighting ligand [68Ga]2 for its high tumor accumulation (9.18% ID/g). Author Donglan Huang published the supporting data under a CC BY-NC 4.0 license in 2026.
5.5 KB of data on the receptor binding site of the hemagglutinin (HA) protein from H9N2 influenza viruses, authored by Nahed Yehia. The dataset is available in XLS format and was last updated on May 8, 2026. Its specific row count is unknown.
Pilot Pharmaceutical Take-Back Program Medication Collection Boxes lists addresses of participating pharmacies, hospitals, and long-term care facilities in New York State. The program, run by the New York State Department of Environmental Conservation, funds collection boxes for solid-state controlled and non-controlled substances. The dataset provides location details to help the public safely dispose of medications and keep them out of waterways.
A research dataset describes spectrophotometric methods for determining Ampicillin Trihydrate concentration in pharmaceutical formulations. The methods were validated per ICH guidelines and show linear calibration in the 5-25 μg/ml range with reported r² values of 0.999. The dataset was authored by Digambar MA and shared via the paperswithcode platform.
U.S. FDA-approved freeze-dried drug products from the 1950s to the 2010s were reconstructed from a published graphic. The dataset provides approximate annual and decadal counts, showing a strong increase from a few products in early decades to over one hundred in the 2000s and approximately 290 in the 2010s. It includes the annotated source image and spreadsheet to enable inspection of the digitisation process.
Junyi Lin's 2026 dataset on figshare contains transcriptomic data from lake trout alevins exposed to the environmental contaminant 6PPD-quinone. The XLSX file, 14.5 MB in size, includes results from a whole-transcriptome analysis of fish exposed to concentrations ranging from 0.22 to 7.6 μg/L for 96 hours. It provides concentration-dependent gene expression data used to model transcriptomic points of departure.
Transcriptomic data from a 2026 study by Junyi Lin on early-life stage lake trout alevins exposed to 6PPD-quinone concentrations from 0.22 to 7.6 μg/L for 96 hours. The dataset includes whole-transcriptome analysis results, identifying concentration-dependent dysregulation of pathways related to inflammation, vascular integrity, and development. It provides benchmark concentration (BMC) modeling values for transcriptomic responses.
Transcriptomic analysis reveals concentration-dependent dysregulation of inflammation, oxidative stress, and developmental pathways in lake trout alevins exposed to the tire rubber contaminant 6PPD-quinone. The dataset contains benchmark concentration modeling results, including a transcriptomic BMC10th of 0.211 μg/L. Researcher Junyi Lin published this toxicological study on figshare in April 2026.
An evaluation benchmark derived from high-throughput screening (HTS) data, designed for classification and regression tasks. The dataset includes continuous inhibition activity percentages with associated standard error and standard deviation. It was created by Alma Celeste Castaneda Leautaud and published on Harvard Dataverse in May 2026.
Os3, a novel osmium(II) complex, demonstrated significant tumor growth inhibition and low side effects in an MC38 colon cancer xenograft model. The 1.8 KB dataset, authored by Minghui Zhu and last updated in April 2026, likely contains experimental results for this compound integrating photodynamic therapy, chemotherapy, and immunotherapy. Its antitumor effects are attributed to phototoxicity, DNA action, mitochondrial damage, and ferroptosis-mediated immune response.
A dataset by Nadia Seifi, last updated in May 2026, analyzing overlapping epitopes from gp62 and Pol antigens. The dataset, stored in an XLS file, is 5.5 KB in size and focuses on the predicted properties of these epitopes.
Cytotoxicity data for a PPEA-polyplex drug delivery system tested on selected cancer cell lines. The dataset is 5.5 KB in size, authored by Anne Pettikiriarachchi, and was last updated on May 5, 2026. It is shared under a CC-BY-4.0 license on the figshare platform.
91 inflammatory proteins were analyzed for causal links to small fiber neuropathy using Mendelian randomization. The study integrates genetic analysis, experimental validation in a mouse model, and deep learning for drug candidate screening. Results highlight specific proteins like CCL11, IL18R1, and MCP2 as potential therapeutic targets.
This dataset contains results from a study integrating Mendelian randomization analysis of 91 inflammatory proteins with experimental validation in a mouse model for small fiber neuropathy. It includes genetic association statistics, protein expression levels from animal tissues, and deep learning-based drug candidate screening results. The data was authored by Guangyu Cai and shared under a CC BY 4.0 license.