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Drug-target interaction, molecular screening, ADMET, compound databases, pharmaceutical data
532 datasets
A 756.4 KB Excel file contains results from a study investigating the anticancer role of celecoxib. The research combined in vitro assays, network pharmacology, and Mendelian randomization analyses to identify mechanisms. The dataset was authored by Tongfei Wang and last updated on May 19, 2026.
A May 2026 dataset by Tongfei Wang presents results from a multi-method study investigating the anticancer role of celecoxib. The data likely contains results from in vitro assays, network pharmacology, and Mendelian randomization analyses linking NEU1 inhibition to cervical cancer risk. The dataset is licensed under CC-BY-4.0 and hosted on figshare.
16.6 KB Excel file from a 2026 figshare upload by Tongfei Wang. The dataset likely contains results from a multi-method study investigating the anticancer role of celecoxib. The research combined in vitro assays, network pharmacology, and Mendelian randomization analyses to explore immune-related mechanisms.
A 31.7 KB Excel file contains results from a study investigating the anticancer role of celecoxib. The dataset likely includes statistical outputs from Mendelian randomization analyses, in vitro assay results, and network pharmacology findings. The data was authored by Tongfei Wang and last updated in May 2026.
A 709.1 KB Excel dataset presents results from a multi-method study investigating celecoxib's anticancer role against cervical cancer. The research combines in vitro assays, network pharmacology, and Mendelian randomization analyses to identify causal relationships and immune-related mechanisms. The dataset was authored by Tongfei Wang and last updated on May 19, 2026.
Tongfei Wang published a pharmacological study on figshare in May 2026. The dataset integrates in vitro experiments, network pharmacology, and Mendelian randomization analyses to explore the anticancer role of celecoxib against cervical cancer. It includes results on cell proliferation inhibition and causal inference linking NEU1 inhibition to reduced cancer risk.
A May 2026 dataset by Tongfei Wang presents results from a multi-method study investigating the anticancer role of celecoxib. The data likely contains results from in vitro assays, network pharmacology, and Mendelian randomization analyses linking NEU1 inhibition to cervical cancer risk. The dataset is licensed under CC-BY-4.0 and hosted on figshare.
A 2026 study by Wen-wei Gong presents data from a network pharmacology and molecular docking analysis of the natural compound shikonin against renal cell carcinoma. The dataset includes 374 shikonin targets, 1,087 RCC-related targets, and 98 overlapping genes, with validation from in vitro cellular experiments. It was published on figshare under a CC-BY-4.0 license.
A dataset of 306 patients with stage II/III colorectal cancer receiving oxaliplatin-based adjuvant chemotherapy, used to develop a predictive nomogram for severe chemotherapy-induced toxicity. The data includes baseline Systemic Immune-Inflammation Index (SII) and Prognostic Nutritional Index (PNI) values, patient age, and outcomes including grade 3–4 adverse events and therapy duration. The dataset was created by Wenjing Li and last updated on May 11, 2026.
1,173 mutations across chimeric DcuS/EnvZ sensor histidine kinases were screened for signaling outputs in response to ligands fumarate and aspartate. Lucas Lippert deposited these barcode-count files for analysis on GitHub, with raw sequencing data available on the NIH Sequence Read Archive. The dataset was last updated on May 21, 2026.
Ami Thakkar's dataset from 2026 contains computational and experimental data on 198 longifolene derivatives designed as potential Alzheimer's disease therapeutics. The data includes results from molecular docking, MD simulations, cytotoxicity assays, and in vitro evaluations of neuroprotective effects. The dataset is hosted on figshare under a CC-BY-4.0 license.
Canadian pulp and paper mills are required to conduct sublethal toxicity testing of their effluent under the Pulp and Paper Effluent Regulations (PPER). The dataset contains results from chronic exposure tests measuring effects on survival, growth, and reproduction in marine or freshwater organisms, reported as LC50, IC25, or EC25 values. Data is published as reported by mills and has not been verified for accuracy and completeness.
A computational screening dataset of 1,820 FDA-approved compounds docked against the Chikungunya virus nsP2 protease. The dataset includes docking scores, molecular dynamics simulation results, and free energy perturbation calculations, identifying potential drug candidates like venetoclax and lapatinib. It was created by Quynh Mai Thai and last updated on 2026-05-29.
Quynh Mai Thai's dataset contains computational screening results for 1,820 FDA-approved compounds against the Chikungunya virus nsP2 protease. The data includes molecular docking scores, molecular dynamics simulation results, and free energy perturbation calculations to predict potential drug inhibitors. It was last updated on 2026-05-29.
A computational study screened 1820 FDA-approved compounds against the Chikungunya virus nsP2 protease. The dataset contains molecular docking scores and simulation results, identifying eight top-scoring candidates including venetoclax and lapatinib. Quynh Mai Thai authored the study, which was last updated on 2026-05-29.
Maoqin Tian published a dataset on figshare in 2026. It contains proteomics and pharmacology data from a study investigating cadmium-induced anxiety. The data includes results from a propensity-score-matched cohort of 50 individuals and validation in a rat model.
A propensity-score-matched cohort of 50 cadmium-exposed individuals (25 anxious vs 25 non-anxious) provided plasma proteomics data. The dataset includes results from LC-MS/MS proteomic profiling, network pharmacology screening, molecular docking, 100ns molecular dynamics simulations, and rat behavioral and histological validation. The data was authored by Maoqin Tian and last updated on 2026-05-25.
A research study by Maoqin Tian, published on figshare in 2026, describes a pipeline for identifying multi-target interventions for cadmium-induced anxiety. The work involved profiling plasma proteomes from a propensity-score-matched cohort of 50 individuals and validating findings in a rat model. The dataset consists of a DOCX document summarizing the methodology and results.
Shuo Yuan's dataset on figshare, last updated 2026-05-29, documents a 42-day trial with 48 broilers. It contains results on growth performance, immune organ indices, oxidative stress markers, inflammatory cytokines, and splenic histopathology and apoptosis, evaluating the protective effects of chitosan-selenium against aflatoxin B1-induced toxicity.
From 2016 to 2023, this dataset comprises 1,216 observations from 152 A-share listed pharmaceutical manufacturing companies in China. It was created by Jingdong Huang to analyze the impact of digital transformation on financing costs through green certification and green finance. The data supports econometric models including fixed-effects panel regression, Bootstrap mediation tests, and instrumental variable methods.