QSAR-ME Profiler 2025: A New Software for QSA(P)R Predictions Supported by Structural Analysis
Abstract
High Resolution Image Download MS PowerPoint Slide Quantitative structure–activity (property) relationships (QSA(P)Rs) are an alternative to in vivo / in vitro experiments. Over the past 20 years, QSA(P)Rs targeting various properties and activities have been developed by the QSAR research unit at the University of Insubria. The new software QSAR-ME Profiler 2025 streamlines the application of these and other QSA(P)Rs and simplifies the evaluation of the predictions. It provides transparent outputs in tabular and graphical form and innovative solutions, compared to similar software, to quantify prediction uncertainty and applicability domain, while supporting the analysis of structural similarity, the application of customized models, and the compilation of QSAR prediction reporting format.
Fields of Study & Subjects
Computational Drug Discovery Methods
Machine Learning in Materials Science
Astronomical and nuclear sciences
Publication details
- Journal / source
- Chemical Research in Toxicology
- Publisher
- American Chemical Society (ACS)
- Volume
- 39
- Issue
- 5
- Pages
- 813–818
- Publication date
- 22 April 2026
- Language
- EN