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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...
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...
