Found 10 datasets matching "Quantitative Structure-Activity Relationship".
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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...
Search relevance: 86.05 | Views last month: 0 -
We have performed high-throughput experimental estimates of five physicochemical properties for a set of 200 chemicals to evaluate the consistency with previous measurements, factors impacting...
Search relevance: 84.43 | Views last month: 0 -
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....
Search relevance: 81.71 | Views last month: 20 -
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...
Search relevance: 80.66 | Views last month: 0 -
Data from which figures and table in "A Model for Risk-Based Screening and Prioritization of Human Exposure to Chemicals from Near-Field Sources" were constructed. This dataset is associated...
Search relevance: 80.31 | Views last month: 3 -
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),...
Search relevance: 79.12 | Views last month: 0 -
List of chemicals used for model evaluation, their MW, log KOW, and references for the original data source(s), the review(s) the data was collected from, and reference for log KOW as cited in the...
Search relevance: 75.29 | Views last month: 0 -
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...
Search relevance: 55.25 | Views last month: 0 -
This dataset contains data used to develop multiple manuscripts on the toxicity of chemicals associated with the hydraulic fracturing industry. These manuscripts were developed as part of EPA's...
Search relevance: 36.00 | Views last month: 0 -
Polychlorinated biphenyls (PCBs) are a group of 209 chemicals with varying chlorine substitutions that influence their absorption, distribution, metabolism, and excretion (ADME). These differences...
Search relevance: 34.29 | Views last month: 1
