Research Topic

Methods and Protocols in Computational Toxicology and Informatics

About this Research Topic

This Research Topic is part of the Methods and Protocols in Toxicology series. Other titles in this series are:

Methods and Protocols in Developmental and Reproductive Toxicology
Methods and Protocols in Immunotoxicology
Methods and Protocols in In Vitro Toxicology
Methods and Protocols in Nanotoxicology
Methods and Protocols in Neurotoxicology
Methods and Protocols in Toxicogenomics

Please submit your article to the Research Topic that best suits the focus of your research.


Introduction and general guidelines

Standardized and/or validated protocols are critically important in basic and regulatory toxicology. However, formal validation and acceptance of new methods for hazard assessment, such as under the Organization for Economic Co-operation and Development (OECD), is laborious and time-consuming. Common guidelines for the reporting of experimental results are also very useful, but only if endorsed by the scientific community as well as by scientific journals. Frontiers in Toxicology has identified a need for a forum where scientists in the many subdisciplines of toxicology can share methods and protocols that are tried and tested. This would open up a dialogue on the ways in which toxicology research is conducted: this includes existing methods adapted for new needs (such as test methods that are validated for traditional chemicals but not yet approved for nanomaterials) or new methods that have been developed to meet the needs of modern toxicology. We also welcome consensus papers, such as proposals for reporting guidelines, preferably from professional organizations at the international level (but national initiatives are also welcome).

As usual, the contributions to this collection will undergo peer-review, but the criteria may be adjusted to fit the present Research Topic; for instance, while novelty is not necessarily decisive, the utility of a method or protocol must be evident. We welcome contributions covering all aspects of toxicology and the submissions will be handled by the team of Topic Editors in the respective sections.

Frontiers in Toxicology supports the FAIR (Findability, Accessibility, Interoperability, and Reusability) principles for scientific data management and stewardship (Wilkinson et al., Sci. Data 3:160018, 2016).

This Research Topic welcomes:
• Methods: Include either existing methods that are significantly improved or adapted for specific purposes or new methods, which may also include primary (original) data. Methods must also be accompanied by some sort of validation or pre-validation. Also, its relevance for toxicology should be highlighted, as well as its performance relative to other methods. Note that Methods do not only refer to experimental methods (or protocols) but can also cover computational or bioinformatics methods for the analysis and/or visualization of toxicological data.
• Protocols: Should provide a detailed description, with pitfalls and troubleshooting, and be of immediate use to the readers. The protocols must be proven to work.
• Standard operating procedures (SOPs): These need to be tested or pre-validated.
• Guidelines: This includes recommendations for reporting standards or other common practices.
• Perspective or General Commentaries on methods and protocols relevant for toxicology.

For more information on the description and formats of the different article types please see here.


Computational Toxicology and Informatics guidelines

In our Research Topic in Computational Toxicology and Informatics, we are specifically looking for:
• Perspectives/Commentaries to highlight the challenges and usability for reporting templates for describing (Q)SAR models and their predictions; Category/Analogue read-across reporting formats.
• Methods to document data pipelines, data curation or cleaning efforts, development of databases, progress in data interoperability, and other challenges in the compilation of datasets that can be leveraged to address toxicology, exposure, and public health questions. Informatic and dataset compilation issues rarely see the spotlight in applied research, but decisions made early in database development, selection of data to use, and standardized analysis of these data for any use may greatly affect the research outcomes and the reproducibility of any findings.
• Protocols to describe model-building phases, including selection of approach, cross-validation, performance metrics, and hyperparameter optimization.
• Guidelines and recommendations for how to version and deploy models into production for broad scientific use, as well as recommendations for structuring and versioning data analysis workflows.


Important Note: All contributions to this Research Topic must be within the scope of the section and journal to which they are submitted, as defined in their mission statements. Frontiers reserves the right to guide an out-of-scope manuscript to a more suitable section or journal at any stage of peer review.

This Research Topic is part of the Methods and Protocols in Toxicology series. Other titles in this series are:

Methods and Protocols in Developmental and Reproductive Toxicology
Methods and Protocols in Immunotoxicology
Methods and Protocols in In Vitro Toxicology
Methods and Protocols in Nanotoxicology
Methods and Protocols in Neurotoxicology
Methods and Protocols in Toxicogenomics

Please submit your article to the Research Topic that best suits the focus of your research.


Introduction and general guidelines

Standardized and/or validated protocols are critically important in basic and regulatory toxicology. However, formal validation and acceptance of new methods for hazard assessment, such as under the Organization for Economic Co-operation and Development (OECD), is laborious and time-consuming. Common guidelines for the reporting of experimental results are also very useful, but only if endorsed by the scientific community as well as by scientific journals. Frontiers in Toxicology has identified a need for a forum where scientists in the many subdisciplines of toxicology can share methods and protocols that are tried and tested. This would open up a dialogue on the ways in which toxicology research is conducted: this includes existing methods adapted for new needs (such as test methods that are validated for traditional chemicals but not yet approved for nanomaterials) or new methods that have been developed to meet the needs of modern toxicology. We also welcome consensus papers, such as proposals for reporting guidelines, preferably from professional organizations at the international level (but national initiatives are also welcome).

As usual, the contributions to this collection will undergo peer-review, but the criteria may be adjusted to fit the present Research Topic; for instance, while novelty is not necessarily decisive, the utility of a method or protocol must be evident. We welcome contributions covering all aspects of toxicology and the submissions will be handled by the team of Topic Editors in the respective sections.

Frontiers in Toxicology supports the FAIR (Findability, Accessibility, Interoperability, and Reusability) principles for scientific data management and stewardship (Wilkinson et al., Sci. Data 3:160018, 2016).

This Research Topic welcomes:
• Methods: Include either existing methods that are significantly improved or adapted for specific purposes or new methods, which may also include primary (original) data. Methods must also be accompanied by some sort of validation or pre-validation. Also, its relevance for toxicology should be highlighted, as well as its performance relative to other methods. Note that Methods do not only refer to experimental methods (or protocols) but can also cover computational or bioinformatics methods for the analysis and/or visualization of toxicological data.
• Protocols: Should provide a detailed description, with pitfalls and troubleshooting, and be of immediate use to the readers. The protocols must be proven to work.
• Standard operating procedures (SOPs): These need to be tested or pre-validated.
• Guidelines: This includes recommendations for reporting standards or other common practices.
• Perspective or General Commentaries on methods and protocols relevant for toxicology.

For more information on the description and formats of the different article types please see here.


Computational Toxicology and Informatics guidelines

In our Research Topic in Computational Toxicology and Informatics, we are specifically looking for:
• Perspectives/Commentaries to highlight the challenges and usability for reporting templates for describing (Q)SAR models and their predictions; Category/Analogue read-across reporting formats.
• Methods to document data pipelines, data curation or cleaning efforts, development of databases, progress in data interoperability, and other challenges in the compilation of datasets that can be leveraged to address toxicology, exposure, and public health questions. Informatic and dataset compilation issues rarely see the spotlight in applied research, but decisions made early in database development, selection of data to use, and standardized analysis of these data for any use may greatly affect the research outcomes and the reproducibility of any findings.
• Protocols to describe model-building phases, including selection of approach, cross-validation, performance metrics, and hyperparameter optimization.
• Guidelines and recommendations for how to version and deploy models into production for broad scientific use, as well as recommendations for structuring and versioning data analysis workflows.


Important Note: All contributions to this Research Topic must be within the scope of the section and journal to which they are submitted, as defined in their mission statements. Frontiers reserves the right to guide an out-of-scope manuscript to a more suitable section or journal at any stage of peer review.

About Frontiers Research Topics

With their unique mixes of varied contributions from Original Research to Review Articles, Research Topics unify the most influential researchers, the latest key findings and historical advances in a hot research area! Find out more on how to host your own Frontiers Research Topic or contribute to one as an author.

Topic Editors

Loading..

Submission Deadlines

30 September 2021 Manuscript

Participating Journals

Manuscripts can be submitted to this Research Topic via the following journals:

Loading..

Topic Editors

Loading..

Submission Deadlines

30 September 2021 Manuscript

Participating Journals

Manuscripts can be submitted to this Research Topic via the following journals:

Loading..
Loading..

total views article views article downloads topic views

}
 
Top countries
Top referring sites
Loading..