Search filters

List of works by Grace Patlewicz

A Chemical Category-Based Prioritization Approach for Selecting 75 Per- and Polyfluoroalkyl Substances (PFAS) for Tiered Toxicity and Toxicokinetic Testing

article

A Comparison of Reactivity Schemes for the Prediction Skin Sensitization Potential

scientific article published on 12 January 2008

A Minireview of Available Skin Sensitization (Q)SARs/Expert Systems

A QSAR model for the eye irritation of cationic surfactants

scientific article published in February 2000

A Review of (Q)SAR Models for Skin and Eye Irritation and Corrosion

article

A Stepwise Approach for Defining the Applicability Domain of SAR and QSAR Models

A Stepwise Approach for Defining the Applicability Domain of SAR and QSAR Models

scientific article published on 01 July 2005

A chemical dataset for evaluation of alternative approaches to skin-sensitization testing

scientific article

A feasibility study developing an integrated testing strategy assessing skin irritation potential of chemicals

scientific article published on 21 May 2008

A feasibility study: Can information collected to classify for mutagenicity be informative in predicting carcinogenicity?

scientific article published on 16 March 2015

A mechanistic approach to modeling respiratory sensitization

scientific article published on 6 February 2014

A mechanistic framework for integrating chemical structure and high-throughput screening results to improve toxicity predictions

article

A roadmap for the development of alternative (non-animal) methods for systemic toxicity testing - t4 report*.

scientific article published on January 2012

A step change towards risk assessment in the 21st century

scientific article published on January 2013

A systematic evaluation of analogs and automated read-across prediction of estrogenicity: A case study using hindered phenols

Alternative approaches for acute inhalation toxicity testing to address global regulatory and non-regulatory data requirements: An international workshop report.

scientific article

An adverse outcome pathway for respiratory sensitization by chemicals: The way forward?

scholarly article by Janine Ezendam et al published October 2017 in Toxicology Letters

An evaluation of selected (Q)SARs/expert systems for predicting skin sensitisation potential.

scientific article published on 20 April 2018

An evaluation of selected global (Q)SARs/expert systems for the prediction of skin sensitisation potential

scientific article published on 01 July 2007

An evaluation of the implementation of the Cramer classification scheme in the Toxtree software

scientific article published in July 2008

An exposure:activity profiling method for interpreting high-throughput screening data for estrogenic activity--proof of concept

scientific article

Application of IATA - A case study in evaluating the global and local performance of a Bayesian network model for skin sensitization.

scientific article published on 20 April 2017

Applying Adverse Outcome Pathways (AOPs) to support Integrated Approaches to Testing and Assessment (IATA).

scientific article published on 27 September 2014

Building scientific confidence in the development and evaluation of read-across.

scientific article

CATMoS: Collaborative Acute Toxicity Modeling Suite

scientific article published in April 2021

Can currently available non-animal methods detect pre and pro-haptens relevant for skin sensitization?

scientific article published on 26 August 2016

Can mutagenicity information be useful in an Integrated Testing Strategy (ITS) for skin sensitization?

scientific article published in October 2010

ChemInform Abstract: A Minireview of Available Skin Sensitization (Q)SARs/Expert Sytems

ChemInform Abstract: A Review of (Q)SAR Models for Skin and Eye Irritation and Corrosion

article

Chemical applicability domain of the Local Lymph Node Assay (LLNA) for skin sensitization potency. Part 1. Underlying physical organic chemistry principles and the extent to which they are represented in the LLNA validation dataset.

scientific article

Chemical reactivity indices and mechanism-based read-across for non-animal based assessment of skin sensitisation potential

scientific article published on May 2008

Chemistry Based Nonanimal Predictive Modeling for Skin Sensitization

Chemistry-based risk assessment for skin sensitization: quantitative mechanistic modeling for the S(N)Ar domain.

scientific article published on 23 June 2011

Computational Methods to Predict Drug Safety

Computational Tools for ADMET Profiling

Computer-aided knowledge generation for understanding skin sensitization mechanisms: the TOPS-MODE approach

scientific article

Contact allergy: the local lymph node assay for the prediction of hazard and risk

scientific article published on 01 March 2003

Contact allergy: the role of skin chemistry and metabolism.

scientific article

Creating molecular diversity from antioxidants in Brazilian propolis. Combination of TOPS-MODE QSAR and virtual structure generation

article

Current and Future Perspectives on the Development, Evaluation, and Application of in Silico Approaches for Predicting Toxicity

scientific article published on 20 December 2015

Current topics on software use in medicinal chemistry: intellectual property, taxes, and regulatory issues

scientific article published on January 2008

Developing scientific confidence in HTS-derived prediction models: lessons learned from an endocrine case study

scientific article published on 17 May 2014

Electrophilic chemistry related to skin sensitization. Reaction mechanistic applicability domain classification for a published data set of 106 chemicals tested in the mouse local lymph node assay

scientific article

Evaluating potential refinements to existing Threshold of Toxicological Concern (TTC) values for environmentally-relevant compounds

scientific article published on 19 October 2019

Evaluation of Complex Mixture Toxicity in the Milwaukee Estuary (WI, USA) Using Whole‐Mixture and Component‐Based Evaluation Methods

scientific article published in 2023

Evaluation of SARs for the prediction of skin irritation/corrosion potential–structural inclusion rules in the BfR decision support system†

scientific article published on 01 May 2007

Evidence-based toxicology for the 21st century: opportunities and challenges

scientific article published in January 2013

Exploring current read-across applications and needs among selected U.S. Federal Agencies

scientific article published on 10 May 2019

Extending the Generalised Read-Across approach (GenRA): A systematic analysis of the impact of physicochemical property information on read-across performance

scientific article published on 01 January 2018

From Knowledge Generation to Knowledge Archive. A General Strategy Using TOPS-MODE with DEREK to Formulate New Alerts for Skin Sensitization

From knowledge generation to knowledge archive. A general strategy using TOPS-MODE with DEREK to formulate new alerts for skin sensitization

scientific article published in March 2004

Further evaluation of quantitative structure-activity relationship models for the prediction of the skin sensitization potency of selected fragrance allergens

scientific article published on 01 February 2004

Generalized Read-Across (GenRA): A workflow implemented into the EPA CompTox Chemicals Dashboard

scientific article published on 04 February 2019

Global (Q)SARs for skin sensitisation–assessment against OECD principles‖

scientific article published on 01 May 2007

Guidance on assessing the methodological and reporting quality of toxicologically relevant studies: A scoping review.

scientific article

In silico toxicology protocols

scientific article published on 17 April 2018

Integrated Approaches to Testing and Assessment

scientific article published on January 2016

Integrated testing and assessment approaches for skin sensitization: a commentary

scientific article

Integrating data gap filling techniques: A case study predicting TEFs for neurotoxicity TEQs to facilitate the hazard assessment of polychlorinated biphenyls

Internationalization of read-across as a validated new approach method (NAM) for regulatory toxicology

scientific article published on 30 April 2020

Investigating the relationship between in vitro-in vivo genotoxicity: derivation of mechanistic QSAR models for in vivo liver genotoxicity and in vivo bone marrow micronucleus formation which encompass metabolism

scientific article

Investigation of the skin sensitizing activity of linalool

scientific article published in September 2002

Is skin penetration a determining factor in skin sensitization potential and potency? Refuting the notion of a LogKow threshold for skin sensitization

scientific article published on 29 June 2016

Markov Entropy Centrality: Chemical, Biological, Crime, and Legislative Networks

Mechanism based structure-activity relationships for skin sensitisation--the carbonyl group domain

scientific article published on 01 March 2002

Mechanistic applicability domain classification of a local lymph node assay dataset for skin sensitization

scientific article

Mechanistic applicability domains for non-animal based prediction of toxicological endpoints. QSAR analysis of the schiff base applicability domain for skin sensitization

scientific article published in September 2006

Navigating the Minefield of Computational Toxicology and Informatics: Looking Back and Charting a New Horizon

scientific article published on 25 June 2020

Navigating through the minefield of read-across frameworks: A commentary perspective

Network Topological Indices from Chem-Bioinformatics to Legal Sciences and back

Non-animal assessment of skin sensitization hazard: Is an integrated testing strategy needed, and if so what should be integrated?

scientific article

Non-enzymatic glutathione reactivity and in vitro toxicity: a non-animal approach to skin sensitization

scientific article published on 19 August 2005

Non-testing approaches under REACH – help or hindrance? Perspectives from a practitioner within industry

scientific article published on 01 March 2011

Nonanimal Alternatives for Skin Sensitization: Letter to the Editor

scientific article published on 28 August 2008

Pathway-based predictive approaches for non-animal assessment of acute inhalation toxicity

scientific article published on 20 June 2018

Predicting Toxicological and Ecotoxicological Endpoints

Predicting drugs and proteins in parasite infections with topological indices of complex networks: theoretical backgrounds, applications, and legal issues

scientific article published on January 2010

Predicting estrogen receptor activation by a group of substituted phenols: An integrated approach to testing and assessment case study

scientific article published on 20 May 2019

Predicting organ toxicity using in vitro bioactivity data and chemical structure

scientific article

Predictive Models for Acute Oral Systemic Toxicity: A Workshop to Bridge the Gap from Research to Regulation

article

Proposing a scientific confidence framework to help support the application of adverse outcome pathways for regulatory purposes

scientific article published on 20 February 2015

QSARs for the skin sensitization potential of aldehydes and related compounds

Quantitative structure-activity relationships for predicting mutagenicity and carcinogenicity

scientific article

Quantitative structure-activity relationships for predicting percutaneous absorption rates

scientific article

Quantitative structure-activity relationships for predicting skin and eye irritation

scientific article published on August 2003

Quantitative structure-activity relationships for predicting skin and respiratory sensitization

scientific article

Read-across approaches--misconceptions, promises and challenges ahead

scientific article published on January 2014

Retrospective mining of toxicology data to discover multispecies and chemical class effects: Anemia as a case study.

scientific article

Skin sensitisation and epidermal disposition: the relevance of epidermal disposition for sensitisation hazard identification and risk assessment. The report and recommendations of ECVAM workshop 59

journal article published in 2007

Skin sensitization: modeling based on skin metabolism simulation and formation of protein conjugates

scientific article published in July 2005

Skin sensitization: reaction mechanistic applicability domains for structure-activity relationships

scientific article published in September 2005

Skin, drug and chemical reactions

Structure-activity relationships for selected fragrance allergens

scientific article published on 01 October 2002

Structure-activity relationships for skin sensitization: recent improvements to Derek for Windows

scientific article published in December 2006

Systematically evaluating read-across prediction and performance using a local validity approach characterized by chemical structure and bioactivity information.

scientific article

TIMES-SS--recent refinements resulting from an industrial skin sensitisation consortium

scientific article published in May 2014

TIMES-SS—A Mechanistic Evaluation of an External Validation Study Using Reaction Chemistry Principles

scientific article published on 23 August 2007

TIMES-SS—A promising tool for the assessment of skin sensitization hazard. A characterization with respect to the OECD validation principles for (Q)SARs and an external evaluation for predictivity

article

The CompTox Chemistry Dashboard: a community data resource for environmental chemistry

scientific article

The Next Generation Blueprint of Computational Toxicology at the U.S. Environmental Protection Agency

scientific article published on 01 June 2019

The adverse outcome pathway for rodent liver tumor promotion by sustained activation of the aryl hydrocarbon receptor

scientific article

The challenge of using read-across within the EU REACH regulatory framework; how much uncertainty is too much? Dipropylene glycol methyl ether acetate, an exemplary case study

scientific article published on 28 December 2013

The local lymph node assay and skin sensitization: a cut-down screen to reduce animal requirements?

scientific article

The reduced local lymph node assay: the impact of group size

scientific article published in May 2008

The role of the European Chemicals Bureau in promoting the regulatory use of (Q)SAR methods†

scientific article published on 01 January 2007

Toward Good Read-Across Practice (GRAP) guidance

scientific article

Towards AOP application--implementation of an integrated approach to testing and assessment (IATA) into a pipeline tool for skin sensitization

scientific article

ToxCast Chemical Landscape: Paving the Road to 21st Century Toxicology

scientific article (publication date: 15 August 2016)

Toxmatch–a new software tool to aid in the development and evaluation of chemically similar groups

article

Toxmatch—A chemical classification and activity prediction tool based on similarity measures

scientific article published on 09 July 2008

Updating the skin sensitization in vitro data assessment paradigm in 2009--a chemistry and QSAR perspective

scientific article

Use and validation of HT/HC assays to support 21st century toxicity evaluations

scientific article published on 3 January 2013

Use of category approaches, read-across and (Q)SAR: general considerations

scientific article published on 11 June 2013

Use of genotoxicity information in the development of integrated testing strategies (ITS) for skin sensitization

scientific article published on 16 September 2010

Utilizing Threshold of Toxicological Concern (TTC) with high throughput exposure predictions (HTE) as a risk-based prioritization approach for thousands of chemicals

scientific article published on 01 January 2018

Validation of Computational Methods

scientific article published on January 2016

Validation of counter propagation neural network models for predictive toxicology according to the OECD principles: a case study

scientific article published in June 2006

What determines skin sensitization potency: Myths, maybes and realities. The 500 molecular weight cut-off: An updated analysis

scientific article published on 10 June 2016

Workshop: use of "read-across" for chemical safety assessment under REACH.

scientific article published on 21 December 2012

Paulina is supported by:

About Paulina

Help