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

OwnerUnited State Environmental Protection Agency - view all

Update frequencyunknown

Last updatedabout 1 year ago

Format

XLSX

Overview

This file contains value of the model training set confusion matrix, domain of applicability evaluation based on training set to predicted chemicals structural similarity, and 75th percentile bioactivity index values for each QSUR model. This dataset is associated with the following publication: Phillips, K., J. Wambaugh, C. Grulke, K. Dionisio, and K. Isaacs. High-throughput screening of chemicals as functional substitutes using structure-based classification models. GREEN CHEMISTRY. Royal Society of Chemistry, Cambridge, UK, 19: 1063-1074, (2017).

alternatives assement consumer products expocast functional use high-throughput screening machine learning algorithms qsar

Additional Information

KeyValue

dcat_modified2016-11-30

dcat_publisher_nameU.S. EPA Office of Research and Development (ORD)

guidA-wdcg-509

ib1_trust_framework[]

language

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