Nicole Kleinstreuer
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Researcher
Faculty Researcher
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Biography and Research Information
OverviewAI-generated summary
Nicole Kleinstreuer's research focuses on the development and application of new approach methodologies (NAMs) in toxicology, aiming to reduce or replace animal testing. Her work investigates *in silico* (computational) and *in vitro* (cell-based) methods for assessing chemical toxicity and informing regulatory decisions. This includes developing and validating artificial intelligence (AI) models for predicting toxicity endpoints, such as acute systemic and topical toxicity.
Kleinstreuer has contributed to frameworks for establishing scientific confidence in NAMs and has published on the impact of data quality on the reliability of AI models used as alternatives to animal testing. Her research also examines the variability in traditional animal testing protocols, such as acute oral systemic toxicity studies in rats, to identify areas for improvement and comparison with alternative methods. She collaborates with researchers at the National Center for Toxicological Research, including Kamel Mansouri, with whom she has co-authored multiple publications.
With an h-index of 53, 284 total publications, and over 13,775 citations, Kleinstreuer is recognized as a highly cited researcher. Her work supports the broader goal of advancing human regulatory toxicology by integrating computational modeling and high-throughput screening assays into risk assessment processes.
Metrics
- h-index: 53
- Publications: 284
- Citations: 13,775
Selected Publications
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Machine Learning Modeling for ABC Transporter Efflux and Inhibition: Data Curation, Model Development, and New Compound Interaction Predictions (2025)
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Panel discussions on the global regulatory acceptance and harmonisation of non-animal NAMs (2025)
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The long way from raw data to NAM-based information: Overview on data layers and processing steps (2025)
Collaboration Network
Top Collaborators
- STopTox: An <i>in Silico</i> Alternative to Animal Testing for Acute Systemic and Topical Toxicity
- IVIVE: Facilitating the Use of In Vitro Toxicity Data in Risk Assessment and Decision Making
- Evaluation of Variability Across Rat Acute Oral Systemic Toxicity Studies
- Application of new approach methodologies: ICE tools to support chemical evaluations
- Analysis of variability in the rabbit skin irritation assay
Showing 5 of 21 shared publications
- STopTox: An <i>in Silico</i> Alternative to Animal Testing for Acute Systemic and Topical Toxicity
- Evaluation of Variability Across Rat Acute Oral Systemic Toxicity Studies
- Application of Defined Approaches for Skin Sensitization to Agrochemical Products
- International regulatory uses of acute systemic toxicity data and integration of new approach methodologies
- The skin allergy risk assessment-integrated chemical environment (SARA-ICE) defined approach to derive points of departure for skin sensitization
Showing 5 of 9 shared publications
- A framework for establishing scientific confidence in new approach methodologies
- Human-relevant approaches to assess eye corrosion/irritation potential of agrochemical formulations
- Differences in the anatomy and physiology of the human and rat respiratory tracts and impact on toxicological assessments
- Performance of the GHS Mixtures Equation for Predicting Acute Oral Toxicity
- Opportunities and challenges related to saturation of toxicokinetic processes: Implications for risk assessment
Showing 5 of 8 shared publications
- Evaluation of Variability Across Rat Acute Oral Systemic Toxicity Studies
- Application of new approach methodologies: ICE tools to support chemical evaluations
- Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling
- Application of an Accessible Interface for Pharmacokinetic Modeling and In Vitro to In Vivo Extrapolation
- Quantitative in vitro to in vivo extrapolation for developmental toxicity potency of valproic acid analogues
Showing 5 of 8 shared publications
- STopTox: An <i>in Silico</i> Alternative to Animal Testing for Acute Systemic and Topical Toxicity
- Large-Scale Modeling of Multispecies Acute Toxicity End Points Using Consensus of Multitask Deep Learning Methods
- Curated Data In — Trustworthy <i>In Silico</i> Models Out: The Impact of Data Quality on the Reliability of Artificial Intelligence Models as Alternatives to Animal Testing
- BeeToxAI: An artificial intelligence-based web app to assess acute toxicity of chemicals to honey bees
- Novel computational models offer alternatives to animal testing for assessing eye irritation and corrosion potential of chemicals
Showing 5 of 7 shared publications
- IVIVE: Facilitating the Use of In Vitro Toxicity Data in Risk Assessment and Decision Making
- Analysis of variability in the rabbit skin irritation assay
- Data curation to support toxicity assessments using the Integrated Chemical Environment
- Performance of the GHS Mixtures Equation for Predicting Acute Oral Toxicity
- Quantitative in vitro to in vivo extrapolation for developmental toxicity potency of valproic acid analogues
Showing 5 of 7 shared publications
- STopTox: An <i>in Silico</i> Alternative to Animal Testing for Acute Systemic and Topical Toxicity
- Large-Scale Modeling of Multispecies Acute Toxicity End Points Using Consensus of Multitask Deep Learning Methods
- Curated Data In — Trustworthy <i>In Silico</i> Models Out: The Impact of Data Quality on the Reliability of Artificial Intelligence Models as Alternatives to Animal Testing
- BeeToxAI: An artificial intelligence-based web app to assess acute toxicity of chemicals to honey bees
- Novel computational models offer alternatives to animal testing for assessing eye irritation and corrosion potential of chemicals
Showing 5 of 6 shared publications
- STopTox: An <i>in Silico</i> Alternative to Animal Testing for Acute Systemic and Topical Toxicity
- Large-Scale Modeling of Multispecies Acute Toxicity End Points Using Consensus of Multitask Deep Learning Methods
- Curated Data In — Trustworthy <i>In Silico</i> Models Out: The Impact of Data Quality on the Reliability of Artificial Intelligence Models as Alternatives to Animal Testing
- Novel computational models offer alternatives to animal testing for assessing eye irritation and corrosion potential of chemicals
- PreS/MD: Predictor of Sensitization Hazard for Chemical Substances Released From Medical Devices
Showing 5 of 6 shared publications
- Application of new approach methodologies: ICE tools to support chemical evaluations
- Analysis of variability in the rabbit skin irritation assay
- Human-relevant approaches to assess eye corrosion/irritation potential of agrochemical formulations
- Data curation to support toxicity assessments using the Integrated Chemical Environment
- Evaluation of the fish acute toxicity test for pesticide registration
- Analysis of variability in the rabbit skin irritation assay
- Application of Defined Approaches for Skin Sensitization to Agrochemical Products
- Use of human predictive patch test (HPPT) data for the classification of skin sensitization hazard and potency
- A database of human predictive patch test data for skin sensitization
- Evaluation of the fish acute toxicity test for pesticide registration
- IVIVE: Facilitating the Use of In Vitro Toxicity Data in Risk Assessment and Decision Making
- Application of new approach methodologies: ICE tools to support chemical evaluations
- Data curation to support toxicity assessments using the Integrated Chemical Environment
- Application of an Accessible Interface for Pharmacokinetic Modeling and In Vitro to In Vivo Extrapolation
- Quantitative in vitro to in vivo extrapolation for developmental toxicity potency of valproic acid analogues
- IVIVE: Facilitating the Use of In Vitro Toxicity Data in Risk Assessment and Decision Making
- Application of new approach methodologies: ICE tools to support chemical evaluations
- Application of an Accessible Interface for Pharmacokinetic Modeling and In Vitro to In Vivo Extrapolation
- Quantitative in vitro to in vivo extrapolation for developmental toxicity potency of valproic acid analogues
- Integrated Approach for Testing and Assessment for Developmental Neurotoxicity (DNT) to Prioritize Aromatic Organophosphorus Flame Retardants
- Evaluation of Variability Across Rat Acute Oral Systemic Toxicity Studies
- Application of new approach methodologies: ICE tools to support chemical evaluations
- Data curation to support toxicity assessments using the Integrated Chemical Environment
- A geospatial modeling approach to quantifying the risk of exposure to environmental chemical mixtures via a common molecular target
- Examining animal testing for risk assessment: A WC-12 workshop report
- BeeToxAI: An artificial intelligence-based web app to assess acute toxicity of chemicals to honey bees
- Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling
- Democratizing cheminformatics: interpretable chemical grouping using an automated KNIME workflow
- Unlocking the Potential of Clustering and Classification Approaches: Navigating Supervised and Unsupervised Chemical Similarity
- A Novel Machine Learning Model and a Web Portal for Predicting the Human Skin Sensitization Effects of Chemical Agents
- New approach methodologies in human regulatory toxicology – Not if, but how and when!
- Artificial intelligence (AI)—it’s the end of the tox as we know it (and I feel fine)*
- Challenges and opportunities for validation of AI-based new approach methods
- 60 Years of the 3Rs symposium: Lessons learned and the road ahead
- Report of the Assay Guidance Workshop on 3-Dimensional Tissue Models for Antiviral Drug Development
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