Data Catalog

• Federal

  Quantitative Structure-Use Relationship (QSUR) Model Descriptors 16 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...

  • XLS
  • XLS
• Federal

  Functional Use Database (FUse) 13 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...

  • XLS
• Federal

  Quantitative Structure-Use Relationship Model Predictions to evaluate Tox21 Chemicals as Functional Substitutes and Candidate Alternatives

  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...

  • XLS
• Federal

  Quantitative Structure-Use Relationship Model thresholds for Model Validation, Domain of Applicability, and Candidate Alternative Selection

  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...

  • XLS

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