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Federal
Functional Use Database (FUse) recent views
U.S. Environmental Protection Agency —
There are five different files for this dataset: 1. A dataset listing the reported functional uses of chemicals (FUse) 2. All 729 ToxPrint descriptors obtained from... -
Federal
Quantitative Structure-Use Relationship (QSUR) Model Descriptors recent views
U.S. Environmental Protection Agency —
This data set contains ToxPrint finger prints for all chemicals in FUse that had QSAR-ready SMILES strings as well as select physicochemical properties from the... -
Federal
Quantitative Structure-Use Relationship Model Predictions to evaluate Tox21 Chemicals as Functional Substitutes and Candidate Alternatives recent views
U.S. Environmental Protection Agency —
This dataset provides a prediction for all Tox21 chemicals with available QSUR descriptors across all 41 valid QSUR models developed with FUse. This dataset is... -
Federal
Quantitative Structure-Use Relationship Model thresholds for Model Validation, Domain of Applicability, and Candidate Alternative Selection recent views
U.S. Environmental Protection Agency —
This file contains value of the model training set confusion matrix, domain of applicability evaluation based on training set to predicted chemicals structural...