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Drug-target interaction, molecular screening, ADMET, compound databases, pharmaceutical data
627 datasets
Survival data for wild-type Drosophila melanogaster (Canton S) exposed to the neurotoxin BMAA. The dataset includes 50% survival times of 19, 14, 10, and 4 days for flies reared in 1, 3, 5, and 10 mM BMAA, respectively, over a 30-day observation period. The data was generated by R. Islam and analyzed using One-way ANOVA in Prizm software.
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.
26.9 KB of data accompanies the PyRMD Studio software, a major update to an open-source virtual screening toolkit. The dataset, authored by Benito Natale and last updated on 2026-05-19, is designed to support rigorous validation strategies to prevent data leakage in AI-driven drug discovery.
S76 | LUXPHARMA is a list of pharmaceuticals authorized for the Luxembourg market, published by the national health fund (Caisse Nationale de Santé, CNS). Randolph R. Singh and colleagues mapped the drug names to chemical structures using the U.S. EPA's CompTox Chemicals Dashboard. The dataset provides a structured link between regulatory listings and computational toxicology resources for environmental and pharmacological research.
Ka Yang's dataset compares cysteine ligandability measurements between live-cell and native-lysate activity-based proteome profiling (ABPP) platforms. The 45.8 MB XLSX file, last updated in May 2026, provides a framework for ABPP experimental design and data interpretation. It highlights factors like protein relocalization and the effects of the CDK7 inhibitor THZ1.
662 bytes of data from a study developing macrocyclic inhibitors targeting the Fis1/Mid51 protein-protein interaction implicated in cardiovascular disease. The dataset, authored by Mulate Zerihun and last updated in May 2026, likely contains results from fluorescence polarization binding assays and cell viability tests in H9c2 cardiomyocytes. It describes compounds CVP-240 and CVP-764, which exhibit nanomolar binding affinity and improve cell viability under stress.
A study evaluating the cardiotoxicity of the anti-cancer drug Lanatoside C at concentrations of 50–200 nM in human AC16 cardiomyocytes and a dose of 80 mg/kg/day in male BALB/c mice over 28 days. The dataset, authored by Yu-Hai Ma and shared under CC-BY-4.0, includes results from cell viability assays, flow cytometry, echocardiography, and histopathological analysis. It was last updated on 2026-05-24.
A Russian-language dataset of 89,850 social media comments, manually annotated for toxicity. The collection is balanced with approximately 44,925 examples each for toxic (1) and neutral (0) classes. It was created by VladimirRH and last updated on Hugging Face in July 2026.
A systematic review and meta-analysis synthesizing results from 22 randomized controlled trials (n=1719) published between January 2018 and June 2025. The study, authored by Yuyang Mi and shared on figshare, evaluates the efficacy of adjuvant Traditional Chinese Medicine in reducing chemotherapy toxicity and improving immune function in postoperative ovarian cancer patients.
A systematic review and meta-analysis of 22 randomized controlled trials (n=1719) evaluating Traditional Chinese Medicine as an adjunct to postoperative chemotherapy for ovarian cancer. The study, authored by Yuyang Mi and published on figshare in 2026, synthesized data from six databases to assess toxicity reduction and immune cell recovery. It reports pooled effect sizes for adverse events, T-cell subsets, and performance status scores.
Xiaohong Guo authored a review article on Rhododendron molle, a medicinal plant used in traditional Chinese medicine. The review covers traditional uses, clinical applications, phytochemistry, pharmacology, toxicology, pharmacokinetics, and quality control, synthesizing information from scientific journals, books, and databases like PubMed and CNKI. The dataset is a 71.7 KB PDF file last updated on May 12, 2026.
A review article on Rhododendron molle, a medicinal plant used in traditional Chinese medicine. The document synthesizes information from scientific journals, books, and databases like PubMed and CNKI. It covers approximately 349 identified chemical metabolites, including diterpenoids, flavonoids, and lignans.
A 124.5 KB document authored by Andrey Zhivnov and last updated in May 2026. It presents a systematic structural analysis of twelve complement C5-modulator complexes, comparing domain superposition, interface quantification, and conformational analysis. The findings provide a structural framework for the rational design of next-generation complement therapeutics.
21.4 KB of tabular data from a non-clinical safety assessment of a recombinant zoster vaccine (CHO cell) formulated with adjuvant BC02. The dataset, authored by Qian Yang and published on figshare in 2026, likely contains results from repeated dose toxicity and immunogenicity studies in Sprague-Dawley rats.
Four doses of a recombinant zoster vaccine were administered to adult Sprague-Dawley rats to assess safety and immunogenicity. The study includes data from general health observations, immunotoxicity and immunogenicity assays, hematological and biochemical profiling, and histopathological evaluations. Qian Yang published the dataset on figshare in 2026 under a CC-BY-4.0 license.
17.8 KB of tabular data from a non-clinical safety assessment of a recombinant zoster vaccine (CHO cell) formulated with adjuvant BC02. The study, conducted by Qian Yang, involved administering four doses to adult Sprague-Dawley rats and assessed safety via health observations, immunotoxicity assays, hematology, biochemistry, and histopathology. The no-observed-adverse-effect level (NOAEL) was determined to be 1.0 mL per rat, equivalent to two human doses.
17.8 KB of tabular data from a non-clinical safety assessment of a recombinant zoster vaccine formulated with adjuvant BC02. The dataset likely contains results from general health observations, immunotoxicity assays, hematological profiling, and histopathological evaluations in adult Sprague-Dawley rats. It was authored by Qian Yang and published on figshare under a CC-BY-4.0 license.
A non-clinical safety assessment of a recombinant zoster vaccine (CHO cell) formulated with adjuvant BC02. Qian Yang published this dataset on figshare in 2026. It contains results from repeated dose toxicity and immunogenicity studies conducted in adult Sprague-Dawley rats.
Qian Yang's dataset contains results from a non-clinical safety assessment of a recombinant zoster vaccine (CHO cell) formulated with adjuvant BC02. The study involved Sprague-Dawley rats receiving four doses, with safety assessed via health observations, immunotoxicity assays, hematology, biochemistry, and histopathology. The data supports the vaccine's safety profile and progression to human clinical trials.
A non-clinical safety assessment of a recombinant zoster vaccine (CHO cell) formulated with adjuvant BC02. The dataset likely contains results from repeated dose toxicity and immunogenicity studies in adult Sprague-Dawley rats, including general health observations, hematological and biochemical profiling, and histopathological evaluations. The data was uploaded by Qian Yang on figshare in May 2026.