A scheme to evaluate structural alerts to predict toxicity – Assessing confidence by characterising uncertainties
Under a Creative Commons license
open access
Keywords
Structural alert
Structure-activity relationship
Toxicity prediction
Confidence
Uncertainty
Evaluation scheme
Use case
Computational toxicology
Abbreviations
AChE
acetylcholinesterase
AOP
Adverse Outcome Pathway
EFSA
European Food Safety Authority
HPV
High Production Volume
KE
Key Event
MIE
Molecular Initiating Event
OECD
Organisation for Economic Cooperation and Development
QMRF
QSAR Model Reporting Format
QPRF
QSAR Prediction Report Format
QSAR
quantitative structure-activity relationship
RAAF
Read-Across Assessment Framework
SAR
structure-activity relationship
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© 2022 The Authors. Published by Elsevier Inc.