Research Topic
Research Topic
Research Type
Software Program
Publication Year

2025, Publication, QSAR Flex

(Q)SAR Approaches to Predict the Extent of Nitrosation in Pharmaceutical Compounds

6 Mar 2025

Drug-induced cardiotoxicity represents one of the most common causes of attrition of drug candidates in preclinical...

2024, CASE Ultra, Publication

Quantitative Structure–Activity Relationship Models to Predict Cardiac Adverse Effects

27 Nov 2024

Drug-induced cardiotoxicity represents one of the most common causes of attrition of drug candidates in preclinical...

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...