List of works - Thomas E Exner

A semi-automated workflow for adverse outcome pathway hypothesis generation: The use case of non-genotoxic induced hepatocellular carcinoma

scientific article published on 03 April 2020

Ab initio quality properties for macromolecules using the ADMA approach ⬇️

scientific article published on 01 December 2003

Automated assignment of NMR chemical shifts based on a known structure and 4D spectra.

scientific article

Can an InChI for Nano Address the Need for a Simplified Representation of Complex Nanomaterials across Experimental and Nanoinformatics Studies?

scientific article published on 11 December 2020

Chapter 11. Computational Modelling of Biological Responses to Engineered Nanomaterials

ELIXIR and Toxicology: a community in development

scientific article published on 3 October 2023

Erratum to Template for the description of cell-based toxicological test methods to allow evaluation and regulatory use of the data

scientific article published on 01 January 2020

European Registry of Materials: global, unique identifiers for (undisclosed) nanomaterials

scientific article from 2022

INTOXICOM Workshop Report: FAIRification of Toxicological Research Output: Leveraging ELIXIR Resources

Integrated analysis of in vitro data and the adverse outcome pathway framework for prioritization and regulatory applications: An exploratory case study using publicly available data on piperonyl butoxide and liver models

scholarly article by Noffisat O. Oki et al published February 2019 in Toxicology in Vitro

Metadata Stewardship in Nanosafety Research: Community-Driven Organisation of Metadata Schemas to Support FAIR Nanoscience Data

scientific article published on 15 October 2020

OpenTox Principles and Best Practices for Trusted Reproducible In Silico Methods Supporting Research and Regulatory Applications in Toxicological Science

Supporting evidence-based analysis for modified risk tobacco products through a toxicology data-sharing infrastructure.

scientific article published on 5 January 2017

Synthesis and Photoswitching Studies of Difurylperfluorocyclopentenes with Extended π‐Systems ⬇️

scientific article published on 05 May 2011

Template for the description of cell-based toxicological test methods to allow evaluation and regulatory use of the data

scientific article published on 01 January 2019

The AOP-DB RDF: Applying FAIR Principles to the Semantic Integration of AOP Data Using the Research Description Framework

publication published on 14 February 2022

The EU-ToxRisk method documentation, data processing and chemical testing pipeline for the regulatory use of new approach methods

scientific article published on 06 July 2020

Toward the quantum chemical calculation of nuclear magnetic resonance chemical shifts of proteins ⬇️

scientific article published on 09 May 2011

pKa based protonation states and microspecies for protein–ligand docking ⬇️

scientific article published on September 30, 2010

List of works by Thomas E Exner

A semi-automated workflow for adverse outcome pathway hypothesis generation: The use case of non-genotoxic induced hepatocellular carcinoma

Ab initio quality properties for macromolecules using the ADMA approach ⬇️

Automated assignment of NMR chemical shifts based on a known structure and 4D spectra.

Can an InChI for Nano Address the Need for a Simplified Representation of Complex Nanomaterials across Experimental and Nanoinformatics Studies?

Chapter 11. Computational Modelling of Biological Responses to Engineered Nanomaterials

ELIXIR and Toxicology: a community in development

ELIXIR and Toxicology: a community in development

Erratum to Template for the description of cell-based toxicological test methods to allow evaluation and regulatory use of the data

European Registry of Materials: global, unique identifiers for (undisclosed) nanomaterials

INTOXICOM Workshop Report: FAIRification of Toxicological Research Output: Leveraging ELIXIR Resources

Integrated analysis of in vitro data and the adverse outcome pathway framework for prioritization and regulatory applications: An exploratory case study using publicly available data on piperonyl butoxide and liver models

Metadata Stewardship in Nanosafety Research: Community-Driven Organisation of Metadata Schemas to Support FAIR Nanoscience Data

OpenTox Principles and Best Practices for Trusted Reproducible In Silico Methods Supporting Research and Regulatory Applications in Toxicological Science

Supporting evidence-based analysis for modified risk tobacco products through a toxicology data-sharing infrastructure.

Synthesis and Photoswitching Studies of Difurylperfluorocyclopentenes with Extended π‐Systems ⬇️

Template for the description of cell-based toxicological test methods to allow evaluation and regulatory use of the data

The AOP-DB RDF: Applying FAIR Principles to the Semantic Integration of AOP Data Using the Research Description Framework

The EU-ToxRisk method documentation, data processing and chemical testing pipeline for the regulatory use of new approach methods

Toward the quantum chemical calculation of nuclear magnetic resonance chemical shifts of proteins ⬇️

pKa based protonation states and microspecies for protein–ligand docking ⬇️