8 search results for “qsar” in the Public website
Proteins in harmony: Tuning selectivity in early drug discovery
This thesis describes the importance of being able to control the selectivity of potential drug candidates.
Prediction of the potency of mammalian cyclooxygenase inhibitors with ensemble proteochemometric modeling
Source: J Cheminform, Volume 7, Issue 1 (2015)
Proteochemometric modelling coupled to in silico target prediction
An integrated approach for the simultaneous prediction of polypharmacology and binding affinity/potency of small molecules.
Development of Quantitative Nanostructure Activity Relationship (QNAR) Models Predicting the Toxicity of Metal-based Nanoparticles to Aquatic
Describe and identify what dosimetry parameters are of importance to interpret dose-response relationships (eg., mortality, sub-lethal, growth or reproduction inhabitation, DNA damage and reactive oxygen species, etc. ) for metal-based nanoparticles? How to develop quantitative models that enable to…
Overview of the publications of the department of Environmental Biology (1972-2015)