Found 5 datasets matching "QSARs".
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Due to the increasing diversity of organic contaminants discharged into anoxic water environments, reactivity prediction is necessary for chemical persistence evaluation for water treatment and...
Search relevance: 143.27 | Views last month: 1 -
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: 93.88 | Views last month: 0 -
Limited data is available for physicochemical properties and environmental fate parameters of PFAS chemicals, which are widely distributed in the environment and highly persistent. This work...
Search relevance: 87.34 | Views last month: 2 -
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: 81.94 | 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: 67.37 | Views last month: 20
