Research Topic
Research Topic
Research Type
Software Program
Publication Year

2024, Poster

External validation of alert profilers for genotoxicity hazard within the OECD QSAR Toolbox

18 Sep 2024

Genotoxic hazard identification is crucial for regulatory decision-making in many countries. Computational toxicity prediction serves as...

2024, Poster

Predicting Nitrosation of Individual Amines in Drug Molecules Using Statistical (Q)SAR Models

18 Sep 2024

Nitrosamines (NAs) have been suspected of being carcinogenic for over 60 years and are particularly dangerous...

2024, Poster, QSAR Flex

A Comprehensive Set of Structural Keys for N-Nitrosamine Fingerprinting and Determining Surrogate Relevance in Carcinogenic Potency Assessments

18 Sep 2024

This study aims to identify structural features that enable efficient searching and quantitative comparison of nitrosamine...

2024, Publication

Modelling biodegradability based on OECD 301D data for the design of mineralising ionic liquids

24 Jun 2024

Discover how new QSBR models help design eco-friendly ionic liquids (ILs) that fully mineralise post-application, preventing...