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Found 38 dataset(s) matching "chemical binding".
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The JRC dataset (doi: 10.1016/j.tiv.2016.07.014) includes reported outcomes in chemico, in vitro and in vivo tests for skin sensitisation. The Tox21 dataset was downloaded from the EPA CompTox...
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The US EPA Toxicity Forecasting (ToxCast) project has involved the generation of large amount of high throughput in vitro data (Over 4000 chemicals tested in between 100 and 700 assays). This data...
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<p>A great deal of effort has gone into the development of point-of-use methods to meet the challenge of rapid bacterial identification for both environmental monitoring and clinical...
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Background Several Retinoic Acid Receptors (RAR) agonists have therapeutic activity against a variety of cancer types; however, unacceptable toxicity profiles have hindered the...
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Designing QSARs for Parameters of High-Throughput Toxicokinetic Models Using Open-Source Descriptors
Additional details used in the methods are found in the MS Word file “S1_Dawson et al._Supporting_Information.docx”. The MS Excel file “S2_Dawson et al. Supporting Information.xlsx” contains...
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Designing QSARs for parameters of high throughput toxicokinetic models using open-source descriptors
The MS Excel file (Dawson et al S2 Supporting information.xlsx) contains multiple sheets containing the training sets, test sets, and predictions for intrinsic metabolic clearance (Clint),...
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Background Molecular mechanics (MM) and quantum chemical (QM) calculations are widely applied and powerful tools for the stereochemical and conformational investigations of molecules....
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Water and sediment samples were collected on annual ECOHAB Process cruises and on isolated Mote transects (10/13/99 and 10/20/99). Samples will be analyzed for brevetoxin using a competetive ELISA...
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Recognition molecules (RM), especially antibodies (A) that bind specifically to the Core-1 (C1) antigen, comprising defined amino acids sequences (1-6) given in the specification and below, are...
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Supporting information in "Saunders, L.J. and Nichols, J.W. (2023), Models Used to Predict Chemical Bioaccumulation in Fish from in Vitro Biotransformation Rates Require Accurate Estimates of...
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Background Modern drug discovery is concerned with identification and validation of novel protein targets from among the 30,000 genes or more postulated to be present in the human...
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Background Measurements of hormonal concentrations by immunoassays using fluorescent tracer substance (Eu3+) are susceptible to the action of chemical agents that may cause alterations...
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S-parameter, Matlab Analysis files for "Quantifying the Effect of Guest Binding on Host Environment Associated Data"Abstract:The environment around a host-guest complex is defined by of...
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Feminization of male fish and the role of endocrine-active chemicals in this phenomenon has been an area of intense study for many years. Estrone (E1), a natural steroid, is found in aquatic...
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Background We have previously reported that glycerol acts as a chemical chaperone to restore the expression of WAF1 in some human cancer cell lines bearing mutant p53. Since the...
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Background The physico-chemical properties of chlorophylls b and c have been known for decades. Yet the mechanisms by which these secondary chlorophylls support assembly and accumulation...
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Final Data SeqAPASS v3.0.zip contains datasets from Sequence Alignment to Predict Across Species Susceptibility (SeqAPASS) tool versions 3.0 for all 497 proteins evaluated using Level 1 (primary...
