Kamel Mansouri
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View article: The Decision Tree approach as a strategy for the global phase out of animal testing for acute and local toxicity for chemicals: recommendations from an expert workshop
The Decision Tree approach as a strategy for the global phase out of animal testing for acute and local toxicity for chemicals: recommendations from an expert workshop Open
The Animal-Free Safety Assessment (AFSA) Collaboration invited a select group of international experts, representing regulatory bodies, industry, method developers, and academia, to a workshop to develop a regulatory strategy implementing …
View article: Automating Data Extraction From Scientific Literature and General <scp>PDF</scp> Files Using Large Language Models and <scp>KNIME</scp> : An Application in Toxicology
Automating Data Extraction From Scientific Literature and General <span>PDF</span> Files Using Large Language Models and <span>KNIME</span> : An Application in Toxicology Open
The large and steadily increasing volume of scientific publications presents a challenge in accessing and utilizing data due to their unstructured nature. Toxicology, in particular, depends on structured data from diverse study types for s…
View article: Machine Learning for Toxicity Prediction Using Chemical Structures: Pillars for Success in the Real World
Machine Learning for Toxicity Prediction Using Chemical Structures: Pillars for Success in the Real World Open
Machine learning (ML) is increasingly valuable for predicting molecular properties and toxicity in drug discovery. However, toxicity-related end points have always been challenging to evaluate experimentally with respect to in vivo transla…
View article: Unlocking the Potential of Clustering and Classification Approaches: Navigating Supervised and Unsupervised Chemical Similarity
Unlocking the Potential of Clustering and Classification Approaches: Navigating Supervised and Unsupervised Chemical Similarity Open
Understanding similarity is pivotal in toxicological research involving CCAs. The effectiveness of these approaches depends on the right definition and measure of similarity, which varies based on context and objectives of the study. This …
View article: Evaluation of in silico model predictions for mammalian acute oral toxicity and regulatory application in pesticide hazard and risk assessment
Evaluation of in silico model predictions for mammalian acute oral toxicity and regulatory application in pesticide hazard and risk assessment Open
The United States Environmental Protection Agency (USEPA) uses the lethal dose 50% (LD50) value from in vivo rat acute oral toxicity studies for pesticide product label precautionary statements and environmental risk assessment (RA). The C…
View article: Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling
Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling Open
The rapid increase of publicly available chemical structures and associated experimental data presents a valuable opportunity to build robust QSAR models for applications in different fields. However, the common concern is the quality of b…
View article: Estimating provisional margins of exposure for data-poor chemicals using high-throughput computational methods
Estimating provisional margins of exposure for data-poor chemicals using high-throughput computational methods Open
Current computational technologies hold promise for prioritizing the testing of the thousands of chemicals in commerce. Here, a case study is presented demonstrating comparative risk-prioritization approaches based on the ratio of surrogat…
View article: Quantitative in vitro to in vivo extrapolation for developmental toxicity potency of valproic acid analogues
Quantitative in vitro to in vivo extrapolation for developmental toxicity potency of valproic acid analogues Open
Background The developmental toxicity potential (dTP) concentration from the devTOX quick Predict (devTOX qP ) assay, a metabolomics‐based human induced pluripotent stem cell assay, predicts a chemical's developmental toxicity potency. Her…
View article: Evaluation of Variability Across Rat Acute Oral Systemic Toxicity Studies
Evaluation of Variability Across Rat Acute Oral Systemic Toxicity Studies Open
Regulatory agencies rely upon rodent in vivo acute oral toxicity data to determine hazard categorization, require appropriate precautionary labeling, and perform quantitative risk assessments. As the field of toxicology moves toward animal…
View article: Application of an Accessible Interface for Pharmacokinetic Modeling and In Vitro to In Vivo Extrapolation
Application of an Accessible Interface for Pharmacokinetic Modeling and In Vitro to In Vivo Extrapolation Open
Regulatory toxicology testing has traditionally relied on in vivo methods to inform decision-making. However, scientific, practical, and ethical considerations have led to an increased interest in the use of in vitro and in silico methods …
View article: Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite
Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite Open
In this article, the “ Acknowledgments ” section was missing the text below: H.C., D.P.R., and H.Z. at Rutgers University at Camden were partially supported by the NIEHS (grants R01ES031080 and R15ES023148).The authors regret the error.
View article: Application of new approach methodologies: ICE tools to support chemical evaluations
Application of new approach methodologies: ICE tools to support chemical evaluations Open
New approach methodologies (NAMs) for toxicological applications such as in vitro assays and in silico models generate data that can be useful for assessing potential health impacts of chemicals. The National Toxicology Program's (NTP's) I…
View article: CATMoS: Collaborative Acute Toxicity Modeling Suite
CATMoS: Collaborative Acute Toxicity Modeling Suite Open
BACKGROUND: Humans are exposed to tens of thousands of chemical substances that need to be assessed for their potential toxicity. Acute systemic toxicity testing serves as the basis for regulatory hazard classification, labeling, and risk …
View article: Revisiting and Updating Chemical Categorizations using chemical fingerprint and High-Throughput Screening Data
Revisiting and Updating Chemical Categorizations using chemical fingerprint and High-Throughput Screening Data Open
Poster presented to the QSAR 2021 International Workshop on QSAR in Environmental and Health Sciences June 2021Search for CCTE records in EPA’s Science Inventory by typing in the title at this link.https://cfpub.epa.gov/si/si_public_search…
View article: OPERA models for ADME properties and toxicity endpoint
OPERA models for ADME properties and toxicity endpoint Open
Presentation to the Society of Toxicology Annual Meeting March 12-26, 2021
View article: The TTC Data Mart: An interactive browser for threshold of toxicological concern calculations
The TTC Data Mart: An interactive browser for threshold of toxicological concern calculations Open
Computational technologies hold promise for informing decisions on the use of thousands of chemicals in commerce that have little or no toxicological data. Threshold of Toxicological Concern (TTC) groups compounds based on the outcome of a…
View article: InterPred: a webtool to predict chemical autofluorescence and luminescence interference
InterPred: a webtool to predict chemical autofluorescence and luminescence interference Open
High-throughput screening (HTS) research programs for drug development or chemical hazard assessment are designed to screen thousands of molecules across hundreds of biological targets or pathways. Most HTS platforms use fluorescence and l…
View article: CERAPP: Collaborative Estrogen Receptor Activity Prediction Project
CERAPP: Collaborative Estrogen Receptor Activity Prediction Project Open
BACKGROUND: Humans are exposed to thousands of man-made chemicals in the environment. Some chemicals mimic natural endocrine hormones and, thus, have the potential to be endocrine disruptors. Most of these chemicals have never been tested …
View article: CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity
CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity Open
The strengths and limitations of the consensus predictions were discussed with example chemicals; then, the models were implemented into the free and open-source OPERA application to enable screening of new chemicals with a defined applica…
View article: Collaborative Modeling Project for Predicting Acute Oral Toxicity
Collaborative Modeling Project for Predicting Acute Oral Toxicity Open
Poster presented to the Society of Toxicology annual meeting March 2020
View article: The role of fit-for-purpose assays within tiered testing approaches: A case study evaluating prioritized estrogen-active compounds in an in vitro human uterotrophic assay
The role of fit-for-purpose assays within tiered testing approaches: A case study evaluating prioritized estrogen-active compounds in an in vitro human uterotrophic assay Open
Chemical risk assessment relies on toxicity tests that require significant numbers of animals, time and costs. For the >30,000 chemicals in commerce, the current scale of animal testing is insufficient to address chemical safety concerns a…
View article: SAR and QSAR modeling of a large collection of LD50 rat acute oral toxicity data
SAR and QSAR modeling of a large collection of LD50 rat acute oral toxicity data Open
The median lethal dose for rodent oral acute toxicity (LD50) is a standard piece of information required to categorize chemicals in terms of the potential hazard posed to human health after acute exposure. The exclusive use of in vivo test…
View article: Addressing systematic inconsistencies between in vitro and in vivo transcriptomic mode of action signatures
Addressing systematic inconsistencies between in vitro and in vivo transcriptomic mode of action signatures Open
Because of their broad biological coverage and increasing affordability transcriptomic technologies have increased our ability to evaluate cellular response to chemical stressors, providing a potential means of evaluating chemical response…