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Found 38 dataset(s) matching "chemical binding".
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Datasets used in ORD-023413: Frequent Modulation of the Sterol Regulatory Element Binding Protein (SREBP) by Chemical Exposure in the Livers of Rats. This dataset is associated with the...
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Results from Quantitative Interspecies Thermal Shift Assay (QITSA) and molecular docking. This dataset is associated with the following publication: Han, J., J. Fu, J. Sun, D.R. Hall, D. Yang,...
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Datasets used in ORD-023408: A Gene Expression Biomarker Identifies Chemicals and Other Factors That Modulate Sterol Regulatory Element Binding Protein (SREBP) Highlighting Differences in Targeted...
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The supporting information can be downloaded at: https://www.mdpi.com/article/10.3390/toxics11120951/s1. Text S1: Chemicals; Text S2: Thyroid Hormone Chemicals and Analysis; Text S3: In Vivo...
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NIST X-ray Photoelectron Spectroscopy Database XPS contains over 33,000 data records that can be used for the identification of unknown lines, retrieval of data for selected elements (binding...
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A representative group of multicyclic aromatic hydrocarbons (MAHC) which can be further classified as bridged-ring (bridged-MAHC) or fused-ring (fused-MAHC) were examined for their ability to...
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Table showing samples and associated scattering paths, interatomic distance, coordination number, energy shift, and error factors. This dataset is associated with the following publication: Li,...
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Current studies on nontarget analysis and toxicities of PFASs are disconnected, due to the challenges posed by the large numbers (>1,000) and diverse structures of PFASs. The SECC method provides...
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The dataset has all of the information used to create and evaluate 3 independent QSAR models for the fraction of a chemical unbound by plasma protein (Fub) for environmentally relevant chemicals....
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Background This work represents an extensive MD simulation / water-dynamics studies on a series of complexes of inhibitors (leupeptin, E-64, E-64-C, ZPACK) and plant cysteine proteases...
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This data includes metabolite predictions for in vitro inactive chemicals, predictions of those metabolite's estrogen receptor binding activity, in vitro and in silico information regarding parent...
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Phenones and hydroxy benzophenones are widely used as UV radiation filters, and in the manufacturing of insecticides and pharmaceuticals. Understanding the ability of these chemicals to mimic the...
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Read-across is an important data gap filling technique used within category and analog approaches for regulatory hazard identification and risk assessment. Although much technical guidance is...
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Marci Smeltz, John F. Wambaugh, and Barbara A. Wetmore, Plasma Protein Binding Evaluations of Per- and Polyfluoroalkyl Substances for Category-Based Toxicokinetic Assessment, Chemical Research in...
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Data set to support the manuscript "Increased endocrine activity of xenobiotic chemicals as mediated by metabolic activation". Contains analytical measurement of metabolites, binding potential to...
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This dataset is from screening 94 diverse chemicals for estrogen receptor (ER) activation in a competitive rainbow trout ER binding assay and a trout liver slice vitellogenin mRNA expression...
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The present invention teaches a marker useful for detection and measurement of free radical damage. Specifically, the invention takes advantage of alterations which occur to the N-terminus of the...
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Data and supplemental files from COMPARA (A large-scale modeling project). COMPARA combined multiple models developed in collaboration with modelers and computational toxicology scientists from 25...
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A diverse data set of 1667 chemicals with AR experimental activity were provided by the U.S. EPA from the oxicity Forecaster (ToxCast) program which generates data using in vitro high-throughput...
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A two-phased bench-scale study was conducted to evaluate various sorbents for possible use as chemical stabilizing agents, along with cement solidification, for possible use in an in-situ...
